Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE007844 |
ID: | TCMBANKHE007844 |
植物拉丁名: |
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功能与主治: | To promote blood circulation and remove blood stasis, to remove heat from the blood and dispel wind./Treatment of amenorrhea with mass in the abdomen, swelling of breast after childbirth, rubella red in colour, itching, acne. |
药用植物名: | 凌霄花 |
药味: | Minor cold; Pungent |
经络: | Liver; Cardiovascular |
治疗类型: | 活血祛瘀药 |
TCM_ID_id: | 3073 |
SymMap_id: | 249 |
TCMSP_id: | 458 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN000677 | Undec-5-en-2-one | EINECS 255-024-6; 40657-56-5; (E)-undec-5-en-2-one | C11H20O | 168.28 | CCCCCC=CCCC(=O)C |
| TCMBANKIN001349 | C09704 | ZINC01531550; 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)-; EINECS 214-276-7; (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; (S-(E))-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol; (3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; 1119-38-6; LMPR01030037 | C15H26O | 222.37 | CC(=CCCC(=CCCC(C)(C=C)O)C)C |
| TCMBANKIN001812 | alizarin | SPECTRUM210850; KBio2_006002; Mitsui Alizarine B; 1,2-Dihydroxyanthraquinone; 32612_RIEDEL; ZINC03860973; Alizerine NAC; Alizarine Paste 20 percent Bluish; 4857-81-2; C37H34ClN2NaO6S2; Alizarine 3B; Deep Crimson Madder 10821E; SODIUM 3-({[(1E,4E)-4-[(2-CHLOROPHENYL)(4-{ETHYL[(3-SULFONATOPHENYL)METHYL]AMINO}PHENYL)METHYLIDENE]CYCLOHEXA-2,5-DIEN-1-YLIDENE](ETHYL)AMMONIO}METHYL)BENZENESULFONATE; 05560_FLUKA; CI 58000; C.I. Pigment Red 83C; BRN 1914037; Alizarin Red; Alizarine paste 20% bluish; C.I. Mordant Red 11C; KBioGR_002050; 333174_SIAL; 122777_SIAL; AIDS-001373; AKOS015916657; C.I. Mordant Red 11; SPBio_000613; CHEBI:16866; Hystazarin; Certiqual Alizarine; 1,2-dihydroxyanthra-9,10-quinone; D and C Orange No. 15; NCGC00095227-03; Hydrogen [4-[(2-chlorophenyl)[4-[Ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobe nzyl)ammonium Na salt; Alizerine Red IPP; Spectrum2_000397; AI3-18244; KBio1_001360; ALIZARIN GREEN; NCGC00095227-01; 72-48-0; NCI60_041501; alizarin ; 1,2-Dihydroxy-9,10-anthracenedione; Turkey Red W; Spectrum5_000150; 1,2-Dihydroxy-anthraquinone; Alizarine Red B2; 1,2-Dihydroxyanthrachinon; Sanyo Carmine L2B; Brilliant Acid Green; BG01793641; Alizarina; 1328-02-5; B0791; Alizarine Red L; Alizarine Lake Red IPX; Dihydroxy-9,10-anthracenedione; Anthraquinone, 1,2-dihydroxy-; Deep Crimson Madder 10821; Pigment red 83; Turkey Red (VAN); Alizarin; 1,2-Anthraquinonediol; Mitsui Alizarine BS; Alizarine Lake Red 2P; Brilliant Milling Green; Certiqual Alizarine D; NCGC00095227-02; BSPBio_001704; Alizarine Red IP; Alizarine Red IPP; SpecPlus_000320; Alizarinprimeveroside; potassium 3-[({4-[(2-chlorophenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl]phenyl}(ethyl)amino)methyl]benzenesulfonate; Mordant Red 11; Eljon Madder M; D And C Orange Number 15; Sanyo Carmine l2BT; SDCCGMLS-0066502.P001; KBio2_000866; AIDS001373; 9,10-Anthracenedione, 1,2-dihydroxy-; D and C Orange Number 15D; NSC7212; Alizarine indicator; C01474; InChI=1/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18; ALIZARINE; MolPort-005-938-495; Turkey Red; 84754-86-9; EINECS 200-782-5; 1,2-Dihydroxy-9,10-anthraquinone; Alizarin B; MFCD00050440; W-110000; 1,2-dihydroxyanthracene-9,10-dione; 4-08-00-03256 (Beilstein Handbook Reference); NSC 7212; KBioSS_000866; 1,2-Dihydroxyanthrachinon [Czech]; I14-51626; SBB006481; Alizarine B; CCRIS 3530; Spectrum_000386; Spectrum3_000262; C.I. Pigment Red 83; NEPTUNE GREEN SG; Alizarine L paste; C.I. 58000C; KBio2_003434; Alizarine Red; KBio3_001204; Acid green 9; Alizarine Red B; LN: L C666 BV IVJ EQ FQ1; AC-20177; CBDivE_014227; Alizarine Lake Red 3P; Spectrum4_001555; DivK1c_006416; C.I. 58000; Eljon madder; Alizarine NAC | C14H8O4 | 240.21 | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| TCMBANKIN001896 | (4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | (4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | C30H48O5 | 488.7 g/mol | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C |
| TCMBANKIN002855 | 3-Octenol, cis- | 20125-84-2; FEMA No. 3467; 3-Octen-1-ol, (3E)-; 3-Octen-1-ol, (E)-; oct-3-en-1-ol; AI3-07194; 3-Octen-1-ol, (Z)-; EINECS 243-533-6; 20125-85-3; EINECS 243-534-1; (E)-Oct-3-en-1-ol; cis-3-Octen-1-ol; (3E)-3-Octen-1-ol; 3-OCTEN-1-OL; 3-Octen-1-ol, (3Z)-; 3-Octen-1-ol, cis-; 18185-81-4; EINECS 242-071-2; trans-3-Octen-1-Ol; (Z)-Oct-3-en-1-ol | C8H16O | 128.21 | CCCCC=CCCO |
| TCMBANKIN002992 | Capsanthin | CHEBI:3375; SDCCGMLS-0066894.P001; (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one; capsanthin; LMPR01070265; beta,kappa-Caroten-6'one, 3,3'dihydroxy-; NCGC00161603-01; Capsanthin/capsorubin; EINECS 207-364-1; UPCMLD-DP025:001; 3,3'-Dihydroxy-beta,kappa-caroten-6'one; C08584; 465-42-9; ZINC95661863; SPECTRUM1505276; Paprika extract; (3R,3'S,5'R)-3,3'-Dihydroxy-beta,kappa-caroten-6'-one; (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one | C40H56O3 | 584.87 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C |
| TCMBANKIN003460 | 15-mercapto-2-pentadecanone | 15- mercapto- 2- pentadecanone | 258.52 | ||
| TCMBANKIN003649 | cyclichexapeptides | ||||
| TCMBANKIN004379 | purpuxoxanthin | C1=CC=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O | |||
| TCMBANKIN004999 | 2-hexenyl benzoate | C13H16O2 | CCCC=CCOC(=O)C1=CC=CC=C1 | ||
| TCMBANKIN007072 | 80-57-9 | Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-; (1R,5R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; (1R,5R)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; EINECS 201-292-4; EPA Pesticide Chemical Code 128986; 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one; NCGC00142604-01; ZINC00967600; AI3-23127 | C10H14O | 150.22 | CC1=CC(=O)C2CC1C2(C)C |
| TCMBANKIN007791 | 2-Propylfuran | Furan, 2-propyl-; EINECS 224-182-8; AI3-26552; 4229-91-8; NSC35553; ZINC01668229 | C7H10O | 110.15 | CCCC1=CC=CO1 |
| TCMBANKIN009871 | (2R)-2,6-dimethylhept-5-enal | ZINC01851029 | C9H16O | 140.22 | |
| TCMBANKIN010129 | 1-PHENYL-ETHANOL | (R)-alpha-methylbenzenemethanol; P4277_SIGMA; 07366_FLUKA; SS2; (1R)-1-PHENYLETHANOL; (R)-()-1-Phenylethanol; 77848_FLUKA; ST5411712; (R)-1-phenylethanol; ()-Methyl phenyl carbinol; ZINC00896626; (R)-()-alpha-Methylbenzyl alcohol; InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H; CHEBI:45616 | C8H10O | 122.16 | CC(C1=CC=CC=C1)O |
| TCMBANKIN011025 | (2S)-2-methyloxolan-3-one | ZINC03880802; (2S)-2-methyltetrahydrofuran-3-one; (2S)-2-methyl-3-tetrahydrofuranone | C5H8O2 | 100.12 | CC1C(=O)CCO1 |
| TCMBANKIN011632 | ZINC02140511 | C15H24 | 204.35 | ||
| TCMBANKIN011817 | 3,3,7-trimethylocta-1,6-diene | C10H18O | 154.25 | ||
| TCMBANKIN012329 | 1-(2-furylmethyl)pyrrole-2-carbaldehyde | 1-(furan-2-ylmethyl)pyrrole-2-carbaldehyde; 3-(4,5-Diphenyl-1,3-oxazol-2-ylmethylimino)-2,6,6-trimethyl-bicyclo[3.1.1]heptan-2-ol; 1-(2-furylmethyl)-2-pyrrolecarboxaldehyde; (3Z)-3-([(Z)-(4,5-Diphenyl-1,3-oxazol-2-yl)methyl]imino)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol; 1-(2-furanylmethyl)-2-formyl- 1H-pyrrole | C10H9NO2 | 175.18 g/mol | C1=CN(C(=C1)C=O)CC2=CC=CO2 |
| TCMBANKIN012543 | Fuseloel | W205710_ALDRICH; Isoamylol; Primary isoamyl alcohol; Isoamyl alcohol (primary and secondary); 59085_FLUKA; 59090_FLUKA; Huile de fusel; I9392_SIGMA; 3-Methyl-1-butanol; EINECS 204-633-5; Fermentation amyl alcohol; ZINC00896830; 277584_ALDRICH; Alcool isoamylique; 1-HYDROXY-3-METHYLBUTANE; 123-51-3; NSC 1029; Iso-amyl alcohol; Isopentanol; 3-Metil-butanolo; isopentan-1-ol; ISOAMYLALCOHOL; 1-Butanol, 3-methyl-; Fusel Oil; 309435_ALDRICH; M32658_SIAL; 3-METHYL-BUTAN-(1)-OL; NSC1029; 6423-06-9; WLN: Q2Y1 & 1; Alcool amilico [Italian]; FEMA No. 2057; Isoamyl alkohol; HSDB 605; Iso-amylalkohol [German]; IP3; Isopentyl alcohol (8CI); Isoamyl alcohol, primary; Isoamyl alkohol [Czech]; C07328; Isobutyl carbinol; Isoamyl alcohol; i-Amyl alcohol; 59092_FLUKA; Amylowy alkohol; Isobutylcarbinol; Isopentyl alcohol; AI3-15288; InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H; FEMA Number 2057; Iso-amylalkohol; W205702_ALDRICH; Amylowy alkohol [Polish]; 3-Methylbutan-1-ol; Alcool isoamylique [French]; NSC7905; 320021_SIAL; Alcool amilico; 2-Methyl-4-butanol; 3-Metil-butanolo [Italian]; CHEBI:15837; Isoamyl alcohol (natural); 3-Methylbutanol | C5H12O | 88.15 | CC(C)CC[O-].CC(C)CC[O-].[Mg+2] |
| TCMBANKIN012874 | oleanoline | ||||
| TCMBANKIN013540 | (1R,4aR,8aS)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | (1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | C15H24 | 204.35 | |
| TCMBANKIN014375 | ARC | 3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL; (3S,7S,11S)-3,7,11,15-tetramethylhexadecan-1-ol | C20H40O | 296.53 | CC(C)CCCC(C)CCCC(C)CCCC(C)CCO |
| TCMBANKIN014697 | undecanal | Undecylic aldehyde; U592; n-Undecanal; 2-Undecenal, (2E)-; ZINC1849946; C11 aldehyde; Undecanone, alpha-; AN-20835; KB-176726; FNP3S9MG30; (2E)-undec-2-enal; Undecanal; Undecyl aldehyde; 2463-77-6; U0046; Hendecanaldehyde; Undec-2(E)-enal; trans-2-Undecenal, >=95%, FG; NSC22578; trans-2-Undecen-1-al; UNII-F851M0LYFD component PANBRUWVURLWGY-MDZDMXLPSA-N; n-Undecyl aldehyde; A817413; W309206_ALDRICH; AI3-05098; 53448-07-0; Hendecanal; Aldehyde C-11; 2-Undecenal, trans; MFCD00014680; (E)-Undec-2-enal; RT-004549; AC1NR23M; Undecylaldehyde; UNII-FNP3S9MG30; 1-Undecanal; CHEMBL451328; 2-UNDECENAL; 112-44-7; EINECS 219-564-6; U2202_ALDRICH; RT-001337; C-11 Aldehyde, undecylic; ACM2463776; AI3-36265; Hendecenal; EINECS 203-972-6; FEMA 3423; 2(E)-Undecenal; AN-22318; BRN 1753213; NSC 22578; 2-UNDECENAL (HIGH TRANS); trans-undec-2-enal; EINECS 258-559-3; trans-2-Undecenal; PANBRUWVURLWGY-MDZDMXLPSA-N; CHEBI:132843; UNA; DTXSID9062437; AKOS015901935; WLN: VH10; Undecanal (natural); LMFA06000064; EINECS 215-656-5; UNII-090E982ABR component PANBRUWVURLWGY-MDZDMXLPSA-N; Aldehyde iso C-11; (2E)-UNDEC-2-ENOYL; (e)-2-undecen-1-al; FEMA No. 3092; ZINC585138973; 2-Undecenal, (E)-; (E)-2-undecenal; Undecanaldehyde; 2-Undecenal, E-; (2E)-2-Undecenal; AN-40765; I14-13669; Aldehyde C-11, undecylic; 2-Undecen-1-al; FEMA No. 3423; LMFA06000065 | C11H22O | 170.29 | CCCCCCCCCCC=O |
| TCMBANKIN014876 | r. tinctorum | ||||
| TCMBANKIN015378 | Spiroxabovolide | C11H16O3 | 196.24 | CC1CCCC2(O1)C(=C(C(=O)O2)C)C | |
| TCMBANKIN017407 | r. cordifolia l. | ||||
| TCMBANKIN018669 | safranal | EBD956040; 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde; 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene; CHEMBL3183495; 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde; AT-2733; EINECS 204-133-7; 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI; CAS-116-26-7; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H; 2,6,6-Trimethyl-1,3-cyclohexadienal; 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene; Safranal; 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-; 2.2.6-Trimethyl-I""4.6-dihydrobenzaldehyd; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3; 3,4-didehydro-7-apo-b-caroten-7-al; AK400488; UNII-4393FR07EA; AC1Q2EVK; Dehydro-beta-cyclocitral; C-02865; AN-22757; LS-3133; Dehydro-b-cyclocitral; DSSTox_GSID_49398; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;; AC1Q6BK7; FT-0631664; (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal; DSSTox_RID_83473; FEMA 3389; C17062; Safranal;; 4393FR07EA; 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal; DSSTox_CID_29357; NCGC00260271-01; ZINC1851022; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde; AC1L1UF0; SCHEMBL23561; CJ-30568; DB-019750; 116-26-7; FEMA No. 3389; 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-; 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;; A803586; 17306_FLUKA; 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal; SGAWOGXMMPSZPB-UHFFFAOYSA-; CHEBI:53169; FCH1119840; SGAWOGXMMPSZPB-UHFFFAOYSA-N; AKOS022504707; Tox21_202723; KB-16884; W338907_ALDRICH; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde; CC-06928; Safranal, >=90%, stabilized; DTXSID7049398; J-003414; 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #; 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; VZ22271; CTK7H7827; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde | C10H14O | 150.22 | CC1=C(C(CC=C1)(C)C)C=O |
| TCMBANKIN020006 | cyanidin-3-rutinoside | cyanidin- 3- rutinoside | C27H31ClO15 | 631 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-] |
| TCMBANKIN020235 | 2,3,5-Trimethylcyclopent-en-1-one | 124.2 | |||
| TCMBANKIN020610 | 3-hexenyl acetate butyrate | ||||
| TCMBANKIN021377 | 3-(2-furyl)-2-methyl-acrolein | (E)-3-(2-furyl)-2-methyl-prop-2-enal; 3-furan-2-yl-2-methyl-prop-2-enal; 3-(2-furyl)-2-methylprop-2-enal; (E)-3-(2-furyl)-2-methyl-acrolein; (E)-3-furan-2-yl-2-methyl-prop-2-enal; (E)-3-(2-furyl)-2-methylprop-2-enal; (E)-3-furan-2-yl-2-methylprop-2-enal; 3-furan-2-yl-2-methylprop-2-enal; 3-(2-furyl)-2-methyl-prop-2-enal | C8H8O2 | 136.15 | |
| TCMBANKIN022980 | caprylic acid | Octanoic acid (mixed isomers); AK405365; octoic acid; Sodium octanoate, 96%; Natrium octanoat; D05220; NoO notEa AAENI; W279927_ALDRICH; Sodium caprylate [NF]; KB-80641; ACMC-1BO0W; MCULE-8227046407; AIDS-006110; Caprylsaeure; V0353; Octylic acid; Enantic acid; Caprylic acid sodium salt; Sodium n-octanoate; Sodium octoate; Octanoic acid sodium salt; 68937-74-6; MolPort-006-113-836; EINECS 273-085-7; C-8 acid; 21639_FLUKA; HSDB 5862; AIDS006110; NCGC00090957-02; 0ctanoic acid; BYKRNSHANADUFY-UHFFFAOYSA-M; Acid C-8; caprylic acid, sodium salt; 124-07-2; Acido octanoico [Spanish]; Sodium octanoate, 96% 100g; Octic acid; 124-07-2 (Parent); W279900_ALDRICH; KS-00000YJH; capryloate; Sodium caprylate: Octanoic acid; NCGC00090957-01; Acide octanoique [French]; Sodium caprylate (NF); O0034; UNII-9XTM81VK2B; LS-98001; 18312-04-4; neo-fat 8; OCTANOIC ACID (CAPRYLIC ACID); SODIUM OCTANOATE; 1-heptanecarboxylic acid; NCIOpen2_009358; LS-691; O3907_ALDRICH; 1984/6/1; CHEBI:132100; MFCD00058511; AN-19785; ANW-13619; NCIOpen2_002902; octanoic acid; C2875_SIGMA; I14-14709; TR-009215; Caprylic acid (natural); NSC 5024; CHEBI:28837; Octanoic acid [USAN:INN]; LMFA01010008; n-octylic acid; TRA-0206488; Fatty acids, C6-1O; FEMA No. 2799; BRN 1747180; 4-02-00-00982 (Beilstein Handbook Reference); 9XTM81VK2B; EINECS 204-677-5; CHEMBL557076; Octanoic acid, sodium salt; EINECS 217-850-5; ST51037190; KSC490S9T; caprylic acid ; NSC5024; AI3-50473; SCHEMBL56211; Sodium Salt of Caprylic Acid; Octanoic acid (USAN); Hexacid 898; CH3-[CH2]6-COOH; Sodium caprylate; Sodium caprylate [USAN]; RTR-009215; 27633_RIEDEL; Kaprylsaeure; C06423; Fatty acids, C6-10; caprylicacid; Acidum octanocium [Latin]; HSDB 821; AI3-04162; Kyselina kaprylova [Czech]; n-octanoic acid; FT-0701289; n-caprylic acid; AS-17478; CCRIS 4689; PubChem12870; 21650_FLUKA; n-Octoic acid; W-109735; CTK3J0999; AKOS015901906; OCA; Octansaeure; SC-79959; n-Octanoic Acid Sodium Salt; WLN: QV7; CPD-195; Octanoic acid, sodium salt (1:1); DTXSID3027451; D08999 | C8H16O2 | 144.21 g/mol | CCCCCCCC(=O)O |
| TCMBANKIN026617 | rubiadin | W1217; RTR-032746; AC1L3XTD; 1, 3-dihydroxy-2-methyl anthraquinone; NP-012908; UNII-CY0UH3X06R; KB-216455; AK111254; KSC937O7B; 1,3-dihydroxy-2-methyl-anthracene-9,10-dione; SCHEMBL1426928; LS-188104; FT-0687288; CCRIS 4533; 117-02-2; 1,3-dihydroxy-2-methylanthraquinone; AIDS-098142; MolPort-003-824-764; AC1Q6JWT; 9,10-Anthracenedione, 1,3-dihydroxy-2-methyl-; CY0UH3X06R; AJ-48018; A1-06841; Rubiadin, analytical standard; ST24036800; 4CN-2427; Rubiadin; Rubiadine; 1,3-dihydroxy-2-methyl-9,10-anthraquinone; ZINC4098705; 1,3-dihydroxy-2-methylanthracene-9,10-dione; DB-025540; NCGC00386035-01!1,3-dihydroxy-2-methylanthracene-9,10-dione; CTK8D7770; CHEBI:69533; DTXSID90151651; Q-100965; AKOS015914028; AIDS098142; MCULE-1867080462; I14-45158; C10402; CHEMBL251251 | C15H10O4 | 254.24 g/mol | CC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| TCMBANKIN028756 | isobutyric acid | Kyselina isomaselna [Czech]; 240168_ALDRICH; Ammonium isobutyrate; 3F03259M1O; Dimethylacetic acid; NSC 62780; Propionic acid, 2-methyl-; Caswell No. 503AA; Propanoic acid,2-methyl-, ammonium salt (1:1); Isobutyric acid; Iso-butyric acid; 2-Methylpropanoic acid; 22228-82-6; Cenex RP b2; W222208_ALDRICH; EINECS 244-850-2; 2-methyl-propanoic acid; AC1L512W; Acetic acid, dimethyl-; iso-C3H7COOH; Caswell No. 044AA; Isobutyric acid (natural); ammonium 2-methylpropanoate; alpha-Methylpropanoic acid; Isobutyric acid [UN2529] [Flammable liquid]; EINECS 201-195-7; EPA Pesticide Chemical Code 101502; Propanoic acid, 2-methyl-, ammonium salt (1:1); Methylpropanoic acid, 2-; Isobuttersaeure; DTXSID2066771; CTK4E8936; AC1Q229N; 2-METHYL-PROPIONIC ACID; Tenox IBP-2; Tenox EBP 2; Isopropylformic acid; UN2529; 79-31-2; Isobutyrate; 2-Methylpropionic acid; LMFA01020071; Isobutanoate; .alpha.-Methylpropanoic acid; Tenox IBP-2 Grain Pr.; EPA Pesticide Chemical Code 101501; .alpha.-Methylpropionic acid; Isobutanoic acid; CHEBI:16135; ALQ; BRN 0635770; GR-9234; Propanoic acid, 2-methyl-, ammonium salt; isobutyricacid; 58360_FLUKA; InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6; I1754_SIGMA; Propanoic acid, 2-methyl-; 79-31-2 (Parent); WLN: QVY1&1; C02632; FEMA No. 2222; 46935U_SUPELCO; NSC62780; 4-02-00-00843 (Beilstein Handbook Reference); azanium 2-methylpropanoate; alpha-Methylpropionic acid; SCHEMBL929931; ISB; AI3-24260; W222216_ALDRICH; HSDB 5228; UNII-3F03259M1O | C4H8O2 | 88.11 | CC(C)C(=O)O |
| TCMBANKIN029716 | 83861-75-0 | (2E,5E)-octa-2,5-dien-1-ol; 2,5-Octadien-1-ol | C8H14O | 126.2 | CCC=CCC=CCO |
| TCMBANKIN032196 | (2R)-2-ethylhexan-1-ol | ZINC01529451 | C8H18O | 130.23 | CCCCC(CC)CO |
| TCMBANKIN034198 | acetic acid | AI3-02394; NSC132953; Azijnzuur [Dutch]; Acido acetico [Italian]; Essigsaeure [German]; InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4; Pyroligneous acid; CARBOXYMETHYL GROUP; Caswell No. 003; 45727_FLUKA; A8976_SIAL; A6283_SIAL; 64-19-7; BRN 0506007; 318590_ALDRICH; 45730_FLUKA; 77671-22-8; cellulose diacetate; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; 9035-69-2; 49199_FLUKA; Cellulose diacetate [USAN]; Cellulose, diacetate; FEMA Number 2006; W200611_ALDRICH; CBM; 320099_SIAL; Methanecarboxylic acid; 45726_FLUKA; NCIOpen2_000682; Glacial acetic acid; Acetic acid (JP15/NF); ethanoic acid; 207004-55-5; Otic Tridesilon; 40209_RIEDEL; Acetic acid, propionic acid distillate; NSC406306; 537020_SIAL; 45725_FLUKA; WLN: QV1; LS-2535; Acetic acid, glacial; 27225_RIEDEL; Ethylic acid; AKOS006290339; 07692_FLUKA; ACY; NSC 132953; ACT; 33206_RIEDEL; EPA Pesticide Chemical Code 044001; 380121_SIAL; W200603_ALDRICH; Acetic acid, glacial (USP); ethoic acid; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; 34254_RIEDEL; 4-02-00-00094 (Beilstein Handbook Reference); 46928_SUPELCO; Acido acetico; C00033; Acetasol (TN); Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Carboxylic acids, C2-3; CHEBI:15366; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; 45732_FLUKA; Acetic acid [JAN]; Octowy kwas [Polish]; Essigsaeure; Vinegar acid; 242853_SIAL; Glacial acetic acid (JP15); 38050_RIEDEL; A9967_SIAL; LS-1541; 38051_RIEDEL; Kyselina octova [Czech]; ST5213882; Acetate standard for IC; 33209_RIEDEL; UN2790; 40273_RIEDEL; Azijnzuur; Acetic acid solution; Acetic acid (natural); D00010; LMFA01010002; 27218_RIEDEL; Acetic acid, aqueous solution; HSDB 40; 68475-71-8; 34255_RIEDEL; NCIOpen2_000659; 34256_RIEDEL; FEMA No. 2006; CCRIS 5952; Acide acetique; Acetic acid, diluted; Acetasol; Octowy kwas; 71251_FLUKA; 338826_SIAL; EINECS 200-580-7; 13669_FLUKA; Acide acetique [French]; CH3-COOH; 45754_FLUKA; 157090-22-7; Acetic acid, water solutions; UN2789 | C5H10O3 | 118.13 | CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
| TCMBANKIN036240 | r. akene | ||||
| TCMBANKIN036823 | acteoside | (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-methylol-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester; Verbascoside; 22323-52-0; AKOS015965213; Acteoside; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-; AIDS030638; AC-6026; BC216166; 61276-17-3; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl] ester; Kusaginin; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; NSC 603831; (B864379); acteoside ; 27625-92-9; AIDS-030638; C10501; .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]; SCHEMBL18826154 | C29H36O15 | 625 | [C@@]1([H])(OC(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O3)[C@@]([H])(O[H])[C@]([H])(OC([H])([H] )C([H])([H])c4c([H])c([H])c(O[H])c(O[H])c4[H])O[C@]1([H])C([H])([H])O[H] |
| TCMBANKIN036829 | ursolic acid | ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 | C30H48O3 | 456.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
| TCMBANKIN036917 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN037308 | β-Eudesmol | 2-Naphthaleneethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-; SCHEMBL12633040; beta-eudesmol; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propan-2-ol; 17790_FLUKA; 2-Naphthalenemethanol, decahydro-8-methylene-alpha,alpha,4a-trimethyl-, (2R-(2-alpha,4a-alpha,8a-beta)-; 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; 3beta-(1-Hydroxy-1-methylethyl)-5-methylene-8abeta-methyldecahydronaphthalene; Beta- Eudesmol; (2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol; β- eudesmol; Eudesm-4(14)-en-11-ol (8CI); beta-Selinenol; rel-2-[(2R,4aR,8aS)-4a-methyl-8-methylenedecahydronaphthalen-2-yl]propan-2-ol; 2-naphthalenemethanol, decahydro-alpha,alpha,4a-trimethyl-8-methylene-, (2R,4aR,8aS)-; C09664; InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s; beta-eudesmol ; 2-[(2R,4aR,8aS)-4a-methyl-8-methylene-2-decalinyl]propan-2-ol; AC1NSVC6; 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol; beta-Eudesmol; beta- eudesmol; 473-15-4; 4(15)-eudesmen-11-ol | 222.37 | ||
| TCMBANKIN038204 | ferulic acid | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; caffeic acid 3-methyl ether; ferulicacid; A803063; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate; CJ-00500; ZB002373; ferulate; CHEBI:29749; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; 3-Methoxy-4-hydroxy-trans-cinnamate; (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate; Ferulic Acid; AC1NUT2L; ferulic acid | C10H10O4 | 194.18 | COC1=C(C=CC(=C1)C=CC(=O)O)[O-] |
| TCMBANKIN038707 | alpha-amyrin | α-Amyrin; C08615; Urs-12-en-3-ol; Urs-12-en-3-ol, (3beta)- (9CI); alpha-Amyrine; Urs-12-en-3.beta.-ol; ST5411384; (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol; (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol; (3.beta.)-Urs-12-en-3-ol; 3-epi-α-amyrin; A834570; Urs-12-en-3-ol #; FSLPMRQHCOLESF-UHFFFAOYSA-N; EINECS 211-352-1; MCULE-7089035597; 12-ursen-3beta-ol; .alpha.-Amyrine; α-amyrin; NSC-114787; alpha-Amyrin; AC1L5E7U; Urs-12-en-3beta-ol; alpha-Amyrenol; Viminalol; 638-95-9; AIDS-070313; Epi-alpha-amyrin; 53017_FLUKA; AIDS070313; AC1Q7B25; .alpha.-Amyrin; 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol; NSC 114787; NSC114787; alpha-amyrin ; Urs-12-en-3-ol, (3.beta.)-; .alpha.-Amyrenol; LMPR01060011; α- amyrin; SMP2_000308 | C30H50O | 426.72 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
| TCMBANKIN039554 | hexanoic acid | (C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate | C6H12O2 | 116.158 | C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN039594 | rubilactone | Rubilactone; 3'-Carbomethoxy-4'-hydroxynaphtho(1',2'-2,3)pyran-6-one; methyl 6-hydroxy-2-oxo-benzo[h]chromene-5-carboxylate; 6-hydroxy-2-oxo-5-benzo[h]chromenecarboxylic acid methyl ester; 6-hydroxy-2-keto-benzo[h]chromene-5-carboxylic acid methyl ester; DTXSID80161966; CHEMBL502634; 2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2-oxo-, methyl ester; 142182-54-5; methyl 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylate; SCHEMBL16453602; AC1L30XS | C15H10O5 | 270.237 | c1([H])c([H])c(c(O[H])c(C(OC([H])([H])[H])=O)c(C([H])=C([H])C(=O)O2)c23)c3c([H])c1[H] |
| TCMBANKIN041320 | cyperene | Cyperene; 2387-78-2; (-)-cyperene; LMPR0103450002; α-cyperene; 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, (3aR-(3aalpha,4beta,7alpha))- | C15H24 | 204.351 | C1([H])([H])C([H])([H])C(C([H])([H])[H])=C2[C@@]13C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C2([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[H] |
| TCMBANKIN042055 | munjistin | C15H8O6 | 284.22 g/mol | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C(=O)O)O | |
| TCMBANKIN042698 | Arjunolic acid | Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2.alpha.,3.beta.,4.alpha.)-; arjunolic acid; arjunolicacid; 2,3,23-Trihydroxyolean-12-en-28-oic acid; AIDS046611; 465-00-9; (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-; AIDS-046611; (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | C30H48O5 | 488.7 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C |
| TCMBANKIN043856 | 23-hydroxyursolic acid | 23- hydroxyursolicacid; 23-hydroxy ursolicacid; 23-hydroxyursolicacid | C30H48O4 | 473 | C(O[H])(=O)[C@]1([C@@](C(=C([H])C([H])([H])[C@]([H])([C@](C([H])([H])[H])([C@@]2([H])[C@](C([H])([H])[H])(C([H])([H])O[H])[C@@]3([H])O[H])C([H])([H])C3([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C2([H]) [H])[C@]45C([H])([H])[H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C5([H])[H] |
| TCMBANKIN044169 | Rubicoumaric acid | 30-Hydroxy-3-([(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy)urs-12-en-28-oic acid #; WENIKWFUTBDGAV-NTEUORMPSA-N; Rubicoumaric acid; 2-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,6a,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; rubicoumaricacid; AC1NTBLD | 618.84 | ||
| TCMBANKIN046208 | furomollugin | BG01539243; CHEMBL464791; 61658-41-1; W1942; METHYL 5-HYDROXYNAPHTHO[1,2-B]FURAN-4-CARBOXYLATE; AKOS032948373; MolPort-035-706-113; ZINC14492390; AFMYCYWCHKTNNE-UHFFFAOYSA-N; Naphtho[1,2-b]furan-4-carboxylic acid,5-hydroxy-,methyl ester | C14H10O4 | 242.227 | c1([H])c([H])c(c(O[H])c(C(OC([H])([H])[H])=O)c(c([H])c([H])o2)c23)c3c([H])c1[H] |
| TCMBANKIN046854 | pseudopurpurin | Pseudopurpurin; 2-Anthracenecarboxylic acid, 9,10-dihydro-1,3,4-trihydroxy-9,10-dioxo-; Pseudopurpurine; 2-Anthracenecarboxylicacid,9,10-dihydro-1,3,4-trihydroxy-9,10-dioxo-; SCHEMBL5075855; CTK1D7829; AC1L9DDH; 1,3,4-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid; C10394; CHEBI:8608; AKOS028111424; 1,3,4-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid; DTXSID30197210; 476-41-5 | C15H8O7 | 300.22 | c1([H])c([H])c([H])c(C(=O)c(c(O[H])c(O[H])c(C(O[H])=O)c2O[H])c2C3=O)c3c1[H] |
| TCMBANKIN047364 | Rubifolic acid | rubifolicacid | 472.7 | ||
| TCMBANKIN049148 | beta-ionone | (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; (Z)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; BB_NC-0321; 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one; NSC 402758; beta-Cyclocitrylideneacetone; SCHEMBL813343; AIDS-032326; AIDS032326; EINECS 238-969-9; 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; .beta.-Cyclocitrylideneacetone; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; W259500_ALDRICH; 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one; NSC46137; WLN: L6UTJ A1U1V1 B1 F1 F1; e-4-(2,6,6-trimethyl-cyclohexyl)-but-3-en-2-one; LS-871; EINECS 252-325-4; YJRODKCOICMRBO-BQYQJAHWSA-N; LS-47337; 35031-06-2; ST5306954; trans-.beta.-Ionone; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E); IONONE, BETA; EINECS 252-912-5; β- Ionone; 58180_FLUKA; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 1; C12287; NSC402758; (3E)-4-(2,2,6-TRIMETHYLCYCLOHEXYL)BUT-3-EN-2-ONE; 14901-07-6; 4-(2,6,6-Trimethyl-2(1)-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 2; SCHEMBL813341; Dihydroionone; ZINC03881456; AC1O5BV0; Ionone, .beta.-; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; CCRIS 6249; (E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; I12603_ALDRICH; InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7; β-ionone; W259519_ALDRICH; .beta.-Ionone; beta-Ionone; 79-77-6; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; .beta.-Ionene; 4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one; 36208-32-9 | C13H20O | 192.297 | C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\C([H])=C([H])\C(=O)C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN050016 | rubiatriol | A'-Neo-26,28-dinorgammacer-9(11)-ene-3,7,19-triol, 13,17-dimethyl-, (3beta,7alpha,8alpha,13alpha,14beta,17alpha,18beta,19alpha)-; 107694-02-0; (1R,3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,9-diol; D:C-Friedo-B':A'-neogammacer-9(11)-ene-3,7,19-triol, (3beta,7alpha,19alpha)-; Rubiatriol; AC1L4DRZ | C30H50O3 | 458.72 | CC(C)C1CC(C2C1(CCC3(C2(CC=C4C3C(CC5C4(CCC(C5(C)C)O)C)O)C)C)C)O |
| TCMBANKIN050149 | 2,6-NONADIENOL | EINECS 227-394-9; 2,6-Nonadien-1-ol; nona-2,6-dien-1-ol; Cucumber alcohol; 2,6-Nonadien-1-ol, (2E,6Z)-; (E,Z)-2,6-nonadienol; AI3-36036; 28069-72-9; (2E,6E)-Nona-2,6-dien-1-ol; (2E,6Z)-Nona-2,6-dien-1-ol; FEMA No. 2780; EINECS 248-816-8; 5820-89-3; 2,6-nonadienol; 2-trans-6-cis-Nonadien-1-ol; 2,6-Nonadien-1-ol, (E,Z)-; Violet-leaf alcohol; (E,Z)-2,6-Nonadien-1-ol; 7786-44-9; ZINC02012062; EINECS 232-097-2 | C9H16O | 140.22 | CCC=CCCC=CCO |
| TCMBANKIN057142 | Ruvoside | UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD | C30H46O9 | [C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])( C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] | |
| TCMBANKIN058043 | safrole | saf rAllyldioxybenzene methylene ether; 8022-92-2; Safrole MF; Rhyuno oil; m-Allylpyrocatechin methylene ether; Spectrum5_000843; WLN: T56 BO DO CHJ G2U1; 1,2-Methylenedioxy-4-allylbenzene; C10490; Allylpyrocatechol methylene ether; NSC 11831; Allylcatechol methylene ether; BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE; 5-19-01-00553 (Beilstein Handbook Reference); Shikomol; S9652_SIGMA; 1-Allyl-3,4-methylenedioxybenzene; BSPBio_002810; [1,2-(Methylenedioxy)-4-allyl]benzene; Spectrum_001446; Safrole; 1,3-Benzodioxole, 5-(2-propenyl)-; AI3-00514; DivK1c_001022; EINECS 202-345-4; KBio2_004494; 4-Allylpyrocatechol; 4-Allyl-1,2-methylenedioxybenzene; NSC11831; KBio3_002030; KBio2_001926; KBioSS_001926; 3,4-(Methylenedioxy)allylbenzene; 5-(2-Propenyl)-1,3-benzodioxole; Sassafras; KBioGR_002319; 1406-55-9; ST5406117; SPBio_000850; RCRA waste number U203; (Allyldioxy)benzene methylene ether; 5-prop-2-enyl-1,3-benzodioxole; Spectrum4_001939; KBio2_007062; 94-59-7; SDCCGMLS-0066708.P001; 4-Allylpyrocatechol formaldehyde acetal; NINDS_001022; BRN 0136380; 5-Allyl-1,3-benzodioxole; CCRIS 553; Caswell No. 729; InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H; EPA Pesticide Chemical Code 097901; HSDB 2653; Shikimole; Spectrum3_001105; SPECTRUM1503620; NCGC00091122-02; Spectrum2_000775; 1-Allyl-3,4-(methylenedioxy)benzene; 4-Allyl-1,2-(methylenedioxy)benzene; NCGC00091122-03; Benzene, 4-allyl-1,2-(methylenedioxy)-; NCGC00091122-01; IDI1_001022; ZINC00002050; Benzene, 1,2-methylenedioxy-4-allyl-; Safrene; RCRA waste no. U203; 1,2-(Methylenedioxy)-4-allylbenzene; 1,3-Benzodioxole, 5-allyl-; KBio1_001022ole; Safrol | C10H10O2 | 162.19g/mol | C=CCC1=CC2=C(C=C1)OCO2 |
| TCMBANKIN058125 | cyanidol | Cyanidin-3-monogalactoside_qt; cyanidin chloride; cyanidin 3,5-di-O-glycoside_qt; cyanidolchloride; Wild groundnut red_qt; cyanidin; cyanidin 3-glucoside_qt; chrysanthemin_qt; cyanidin-3-glucoside_qt; Cyanin_qt; cyanidin-3-rutinoside_qt; Cyanidin 3-O-glucoside_qt; cyanidin ; 2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-3,5-diolate; cyanidin(1-); CHEBI:71682; cyanidin | C15H11O6+ | 287.24 g/mol | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O |
| TCMBANKIN058167 | desrhamnosylacteoside | Calceolarioside A;[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; MEGxp0_000507; [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; AIDS-224551; AIDS224551; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] ester; ACon1_000369; beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-; (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl] ester; 84744-28-5; beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)- | C23H26O11 | 478.45 | C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O |
| TCMBANKIN058221 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058293 | BOX | FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid | C7H6O2 | 122.12 | C1=CC=C(C=C1)C(=O)O |
| TCMBANKIN058306 | cinnamic acid | Cinnamic acid, (Z)-; trans-beta-Carboxystyrene; (Z)-3-phenylprop-2-enoate; Cinnamylic acid; trans-Zimtsaeure; Benzenepropenoic acid; Zimtsaeure; cinnamic acid ; 3-phenylprop-2-enoic acid; C80857_ALDRICH; 102-94-3; 133760_ALDRICH; AIDS-017619; tert-.beta.-Phenylacrylic acid; BRN 1905952; STK286093; InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11; CCRIS 3190; NSC174025; 3-Phenylpropenoic acid; CHEBI:35700; W228818_ALDRICH; cinnamicacid; (E)-3-Phenyl-2-propenoic acid; 4-09-00-02002 (Beilstein Handbook Reference); NSC623441; AC1OAGPW; 140-10-3; Benzylideneacetic acid; NSC44010; Zimtsaeure [German]; 2-Propenoic acid, 3-phenyl-, (E)-; 3-Phenyl-2-propenoic acid; NSC9189; 2-Propenoic acid, 3-phenyl-, (Z)-; trans-3-Phenylacrylic acid; C10438; W228826_ALDRICH; Cinnamic acid, (E)-; WLN: QV1U1R; NCGC00165979-01; NSC 44010; CHEBI:27386; (2Z)-3-phenylacrylate; trans-Cinnamic acid; (Z)-Cinnamic acid; (2E)-3-phenylprop-2-enoic acid; Acidum cinnamylicum; (2E)-3-phenyl-2-propenoic acid; 621-82-9; cis-.beta.-Carboxystyrene; PHENYLETHYLENECARBOXYLIC ACID; EINECS 210-708-3; 2-Propenoic acid, 3-phenyl-; 3-Phenylacrylic acid; CHEBI:35697; EINECS 205-398-1; cis-Cinnamic acid; BRN 0507757; C00423; (2Z)-3-phenylprop-2-enoate; Kyselina skoricove [Czech]; Phenylacrylic acid; Cinnamic acid; Cinnamic acid (natural); (E)-3-phenylacrylic acid; cis-cinnamate; AI3-00891; (2E)-3-phenylacrylic acid; Allocinnamic acid; (E)-3-phenylprop-2-enoic acid; (E)-Cinnamic acid; beta-phenylacrylic acid; AIDS017619; trans-Cinnamate; trans-.beta.-Carboxystyrene; trans-3-Phenyl-2-propenoic acid; 96340_FLUKA; FEMA No. 2288; trans-3-Phenylpropensaeure; NSC 9189; Isocinnamic acid; AI3-23709; cis-Cinnamic acidanion; E-cinnamicacid; E-cinnamic acid; E- cinnamicacid; 3-Phenylpropenoic acid | C9H8O2 | 148.16 | C1=CC=C(C=C1)C=CC(=O)O |
| TCMBANKIN058314 | benzaldehyde | SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal | C7H6O | 106.12 | C1=CC=C(C=C1)C=O |
| TCMBANKIN058315 | anthocyan | anthocyanin;Anthocyanidins | Cyanidin: C15H11O6Cl; Peonidin: C16H13O6Cl; Malvidin: C17H15O7Cl; Delphinidin: C15H11O7Cl; Petunidin: C16H13O7Cl; Pelargonidin: C15H11O5Cl or C15H11O+ | 207.25 g/mol | C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2 |
| TCMBANKIN058334 | benzene acetaldehyde | benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin | C8H8O | 120.15 g/mol | C1=CC=C(C=C1)CC=O |
| TCMBANKIN058355 | Aromatic alcohol | NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R | C7H8O | 108.14 g/mol | C1=CC=C(C=C1)CO |
| TCMBANKIN058364 | IPH | NCI-C50124; Phenol, liquid; Baker's P and S Liquid and Ointment; 48556_SUPELCO; Un 2812 (solution); Carbolic oil; 16018_RIEDEL; P4557_SIAL; AI3-01814; 52463_FLUKA; UN2821; Phenol, sulfurated; NSC 36808; (14C)Phenol; Phenic; 242322_SIAL; Fenolo; Phenol, chloro derivs.; 185450_SIAL; Paoscle (TN); P4682_SIAL; Fenosmoline; Phenole [German]; Phenole; PhOH; 328111_SIAL; 77614_FLUKA; acide phenique; UN2312; ST5214353; Carbolic acid, liquid; Phenol [JAN]; Liquid phenol; LS-476; P3653_SIAL; Phenol, solid [UN1671] [Poison]; NCGC00091454-03; RCRA waste number U188; WLN: QR; W322318_ALDRICH; Phenol (liquid); Phenol (or solutions with 5% or more phenol); Caswell No. 649; 16016_RIEDEL; Baker's p and s; Phenol, synthetic; Fenolo [Italian]; Phenol, pure; Phenol solution; HSDB 113; Phenyl alcohol; Oxybenzene; Izal; C15584; FEMA No. 3223; phenylalcohol; AIDS-000352; NSC36808; Phenol (TN); Phenol alcohol; 40063_SUPELCO; Phenol-UL-14C; UN 1671 (solid); 16017_RIEDEL; 33517_RIEDEL; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; Acide carbolique [French]; carbolic acid; Synthetic phenol; Phenyl hydroxide; Fenol [Dutch, Polish]; RCRA waste no. U188; NCGC00091454-01; P1037_SIAL; UN1671; 46344_RIEDEL; 35952_RIEDEL; Fenol; ZINC00895069; Phenol, labeled with carbon-14; Fenosmolin; Baker's P & S liquid & Ointment; Monophenol; Phenylic alcohol; 564796_ALDRICH; Monohydroxybenzene; Phenol solutions [UN2821] [Poison]; 77607_FLUKA; Phenol, molten [UN2312] [Poison]; 297437_SIGMA; P9346_SIAL; CHEBI:15882; c0128; Carbolsaure [German]; EINECS 203-632-7; Phenol (JP15/USP); Phenyl hydrate; Phenol, polymer-bound; UN 2312 (molten); D00033; EPA Pesticide Chemical Code 064001; EINECS 262-972-4; 48688_SUPELCO; Phenol, liquefied; Phenol, chlorinated; Benzene, hydroxy-; CCRIS 504; Karbolsaeure; Paoscle; Liquified Phenol; Acide carbolique; Monohydroxy benzene; P5566_SIAL; NCGC00091454-02;phenylic alcohol;NCI-C50124; 582-EP2308872A1; UN 2312; 582-EP2284148A1; 582-EP2308875A1; 582-EP2275404A1; 582-EP2292597A1; Phenol, liquid; 582-EP2315502A1; AC1Q791G; 582-EP2305689A1; NCGC00259188-01; 582-EP2295426A1; Campho-Phenique Liquid; 582-EP2380872A1; 582-EP2311464A1; 582-EP2316937A1; 3f39; 78049-EP2277868A1; Carbolsaeure; 582-EP2284157A1; J-610001; Carbolsaure; UN2821; 582-EP2305698A2; 582-EP2279750A1; 582-EP2308861A1; AJ-53232; 108-95-2; 582-EP2275395A2; MFCD00002143; 582-EP2275105A1; Phenole [German]; Phenole; AC1L1AHZ; 582-EP2286812A1; 582-EP2308877A1; Phenol, detached crystals, 99% 100g; acide phenique; 582-EP2287166A2; P1610; 582-EP2301538A1; 582-EP2301919A1; 582-EP2316470A2; Hydroxybenzene; Tox21_113463_1; 61788-41-8; 582-EP2316974A1; 14534-23-7; NCGC00091454-03; WLN: QR; Phenol, SAJ first grade, >=98.0%; 582-EP2277879A1; Phenol (or solutions with 5% or more phenol); benzenod; 582-EP2277881A1; Baker's p and s; RL00383; Phenol, pure; 582-EP2301924A1; PHENOL- D6; HSDB 113; Hydroxy-benzene; Izal; Phenol, unstabilized, purified by redistillation, >=99%; C15584; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, >=99.5% (GC), crystalline (detached); NCGC00091454-04; 582-EP2280021A1; UN 1671 (solid); C6H6O; InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7; 582-EP2298758A1; 582-EP2272817A1; 582-EP2308848A1; Phenol solution, BioReagent, Saturated with 0.1 M citrate buffer, pH??4.3 +/- 0.2, for molecular biology; Phenol [USP:JAN]; 582-EP2289879A1; H2391; 582-EP2305649A1; 582-EP2308873A1; Phenol, LR, >=99%; AK113559; 582-EP2298753A1; NCGC00091454-07; RCRA waste no. U188; Phenol, ultrapure; 582-EP2311811A1; SMR000568492; Fenosmolin; 582-EP2302015A1; Phenylic alcohol; 78049-EP2277870A1; Pandy's reagent; 582-EP2280004A1; 582-EP2301926A1; Liquefied phenol BP; Carbolsaure [German]; EINECS 203-632-7; 8002/7/1; 582-EP2272849A1; Phenol, BioXtra, >=99.5% (GC); ISWSIDIOOBJBQZ-UHFFFAOYSA-N; 582-EP2301935A1; 582-EP2308880A1; FT-0645154; Paoscle; Phenol molten; 50356-25-7; 582-EP2295424A1; AB1002201; Benzenol; BDBM26187; Phenol, >=99%; 582-EP2311814A1; Fenol(DUTCH, POLISH); 582-EP2280003A2; 582-EP2311494A1; 1li2; 582-EP2316832A1; 1ai7; Un 2812 (solution); Carbolic oil; 582-EP2298759A1; AI3-01814; Phenol, sulfurated; 582-EP2298778A1; (14C)Phenol; 582-EP2301929A1; Phenol, PESTANAL(R), analytical standard; 582-EP2295434A2; BIDD:ER0293; NCGC00254019-01; I01-9247; 582-EP2275411A2; 582-EP2308838A1; Paoscle (TN); 582-EP2284147A2; EC 203-632-7; Fenosmoline; hydroxybenzend; PhOH; 582-EP2272813A2; 582-EP2305687A1; Phenol, detached crystals; Phenol, AR, >=99.5%; MolPort-000-871-946; Tox21_113463; PHENOL, 80% in ethanol; 582-EP2272822A1; DSSTox_RID_75955; Phenol solution, 100 mug/mL in acetonitrile, PESTANAL(R), analytical standard; Carbolic acid, liquid; Liquid phenol; 582-EP2277570A2; Phenol, >25% in a non hazardous diluent; Phenol (liquid); Phenol, for molecular biology; Caswell No. 649; 582-EP2277568A2; Phenol, synthetic; Fenolo [Italian]; 582-EP2305674A1; 4-hydroxybenzyl group; 582-EP2295429A1; 582-EP2287162A1; 78049-EP2272846A1; Phenol, p.a., ACS reagent, 99.5-100.5%; FEMA No. 3223; Phenol (TN); Phenol (JP17/USP); DTXSID5021124; 582-EP2287161A1; 582-EP2305673A1; 582-EP2295399A2; 139-02-6 (hydrochloride salt); 582-EP2305664A1; 582-EP2371811A2; 582-EP2374784A1; 582-EP2277569A2; 582-EP2305695A2; BP-30160; 582-EP2308510A1; KB-59534; 582-EP2298744A2; Phenol, natural, 97%, FG; 582-EP2295437A1; carbolic acid; 582-EP2280010A2; 582-EP2284160A1; 582-EP2287165A2; Fenol [Dutch, Polish]; UN1671; 582-EP2371807A1; Phenol, labeled with carbon-14; Phenol, United States Pharmacopeia (USP) Reference Standard; UN 2821; Liquefied phenol; Monohydroxybenzene; bmse000290; 582-EP2289892A1; 582-EP2311822A1; Cepastat lozenges; Phenol solutions; 78049-EP2292608A1; 582-EP2305625A1; 582-EP2305684A1; Phenol, polymer-bound; 582-EP2301983A1; Phenyl hydrate; UN 2312 (molten); 582-EP2280020A1; 582-EP2308878A2; Phenol, BP grade 80% aqueous solution; MCULE-9943948107; EINECS 262-972-4; KS-00000VIO; DB03255; UNII-339NCG44TV; 582-EP2311831A1; Phenol, molten [UN2312] [Poison]; Monohydroxy benzene; NCGC00091454-02; 582-EP2316833A1; LS-105199; Phenol solution, 5000 mug/mL in methanol, certified reference material; 582-EP2277567A1; Cuticura pain relieving ointment; 582-EP2277867A2; 582-EP2298742A1; 582-EP2316824A1; 582-EP2314579A1; 582-EP2305243A1; Baker's P and S Liquid and Ointment; 582-EP2372017A1; 582-EP2316829A1; F1908-0106; AN-22534; 582-EP2305627A1; ACMC-1CE2K; 582-EP2280006A1; NSC 36808; 582-EP2284169A1; Fenolo; PHENOL, ACS; 78049-EP2371806A1; DSSTox_GSID_21124; 582-EP2295428A2; 582-EP2289883A1; Liquefied phenol (TN); UN 1671; 582-EP2284146A2; 582-EP2301937A1; 582-EP2305633A1; Phenol synthetic; Phenol [JAN]; Phenolated water for disinfection; MLS001065591; Phenol solutions [UN2821] [Poison]; NSC-36808; Phenol homopolymer; Phenol, solid [UN1671] [Poison]; DSSTox_CID_1124; 582-EP2269997A2; 582-EP2311455A1; NCGC00091454-05; 582-EP2308840A1; Phenol stock solution, 100 mg/dL, standard; C00146; PHENOL REAGENT; 582-EP2301536A1; 582-EP2272972A1; 582-EP2305808A1; Phenyl alcohol; 582-EP2316836A1; 582-EP2371806A1; 582-EP2281819A1; 78049-EP2371807A1; Phenol, polymer-bound, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked with divinylbenzene; 582-EP2305648A1; 582-EP2305640A2; 582-EP2314571A2; Phenol, >=96.0% (calc. on dry substance, T); Phenol, BioUltra, for molecular biology, >=99.5% (GC); I14-62966; NA 2821; SC-26791; Phenol,industrial; Phenol for disinfection (JP17); 582-EP2374785A1; 582-EP2277872A1; Phenol polymer-bound; CS0062; 582-EP2281817A1; AKOS000119025; 582-EP2305679A1; 582-EP2275420A1; 582-EP2275403A1; 582-EP2311834A1; NCGC00091454-01; Fenol; Tox21_300042; Baker's P & S liquid & Ointment; bmse010026; Liquified Phenol, meets USP testing specifications, >=89.0%; Campho-Phenique Cold Sore Gel; CAS-108-95-2; CRISTALESDEFENOL; 582-EP2284165A1; 582-EP2314576A1; Carbolic acid liquid; 582-EP2308865A1; TEA polyphenol; 582-EP2270003A1; 582-EP2270101A1; 78049-EP2308866A1; C6H5OH; ANW-15995; D00033; 63496-48-0; AM802906; Phenosmolin; Liquefied phenol (JP17); 582-EP2311829A1; Phenol, ACS reagent; Benzene, hydroxy-; CCRIS 504; Phenol, 90% aqueous solution; Hydroxybenzene solution; 582-EP2280012A2; Acide carbolique; CTK0H5673; 582-EP2269975A2; 582-EP2277566A2; 582-EP2298776A1; 78049-EP2277869A1; Phenic alcohol; p-Hydroxy polystyrene (100-200 mesh, 0.5-1.5 mmol/g); 582-EP2295438A1; NCGC00091454-06; Phenol, solid; 582-EP2295427A1; Phenol, contains hypophosphorous as stabilizer, loose crystals, ACS reagent, >=99.0%; 582-EP2305033A1; 582-EP2275415A2; 582-EP2311808A1; 582-EP2272973A1; Phenol, JIS special grade, >=99.0%; Phenol, >=99.0%; 52009-05-9; 582-EP2314295A1; Phenic; 582-EP2298750A1; PHENOL, ULTRA PURE; 582-EP2298734A2; phenol; 582-EP2287167A1; 582-EP2284178A2; Tox21_201639; 582-EP2272935A1; 27073-41-2; 582-EP2270113A1; 582-EP2305697A2; Phenol, molten; UN2312; LS-476; 582-EP2289509A2; Phenol, puriss. p.a., ACS reagent, reag. Ph. Eur., 99.0-100.5%; IPH; PHENOL REAGE NT; 78049-EP2287158A1; Phenol solution; Oxybenzene; Phenol for disinfection (TN); 582-EP2298775A1; Campho-Phenique Gel; phenylalcohol; Phenol liquid; NSC36808; 582-EP2377842A1; Phenol alcohol; Phenol 10 microg/mL in Methanol; 4i7l; RTR-002010; hydroxy benzene; Phenol, BioUltra, for molecular biology, TE-saturated, ~73% (T); Carbolicum acidum; 582-EP2292280A1; Phenol, unstabilized, ReagentPlus(R), >=99%; 56322-06-6; 582-EP2314588A1; Acide carbolique [French]; 582-EP2274983A1; Synthetic phenol; 582-EP2289891A2; Phenyl hydroxide; Phenic acid; phenylic acid, phenyl hydroxide; MFCD03703209; 582-EP2277565A2; 2-hydroxybenzoyl group; LTBB002354; 582-EP2287158A1; Monophenol; Phenol 100 microg/mL in Methanol; 582-EP2269977A2; 582-EP2289965A1; 582-EP2286811A1; Phenol solutions [UN2821] [Poison]; 582-EP2292620A2; 582-EP2316831A1; Phenol, molten [UN2312] [Poison]; 582-EP2305696A2; 73607-76-8; ZINC5133329; 582-EP2280001A1; 582-EP2295411A1; CHEBI:15882; Phenol solution, certified reference material, 500 mug/mL in methanol; 582-EP2289896A1; 582-EP2308471A1; 339NCG44TV; 582-EP2305668A1; phenyloxidanyl; Rcra waste number U188; EPA Pesticide Chemical Code 064001; Phenol, solid [UN1671] [Poison]; 582-EP2305662A1; CHEMBL14060; 582-EP2316452A1; 97694-EP2305662A1; Phenol, liquefied; 582-EP2311824A1; Phenylic acid; Karbolsaeure; 582-EP2289868A1; Phenol, puriss., meets analytical specification of Ph. Eur., BP, USP, 99.5-100.5% (GC); Liquified Phenol; Phenol, for molecular biology, ~90% (T), liquid; Phenolated water; 582-EP2305685A1; 582-EP2292608A1; Phenol solution, BioReagent, Equilibrated with 10??mM Tris HCl, pH??8.0, 1??mM EDTA, for molecular biology;4-[5-phenyl-4,5-dihydro-3-isoxazolyl)-2-methylphenol; 2-methyl-4-(5-phenyl-4,5-dihydroisoxazol-3-yl)phenol;phenylic acid;phenol;hydroxybenzene | C6H6O | 94.11 g/mol | C1=CC=C(C=C1)O |
| TCMBANKIN058383 | rubia akanera-i | alizarin;SPECTRUM210850; KBio2_006002; Mitsui Alizarine B; 1,2-Dihydroxyanthraquinone; 32612_RIEDEL; ZINC03860973; Alizerine NAC; Alizarine Paste 20 percent Bluish; 4857-81-2; C37H34ClN2NaO6S2; Alizarine 3B; Deep Crimson Madder 10821E; SODIUM 3-({[(1E,4E)-4-[(2-CHLOROPHENYL)(4-{ETHYL[(3-SULFONATOPHENYL)METHYL]AMINO}PHENYL)METHYLIDENE]CYCLOHEXA-2,5-DIEN-1-YLIDENE](ETHYL)AMMONIO}METHYL)BENZENESULFONATE; 05560_FLUKA; CI 58000; C.I. Pigment Red 83C; BRN 1914037; Alizarin Red; Alizarine paste 20% bluish; C.I. Mordant Red 11C; KBioGR_002050; 333174_SIAL; 122777_SIAL; AIDS-001373; AKOS015916657; C.I. Mordant Red 11; SPBio_000613; CHEBI:16866; Hystazarin; Certiqual Alizarine; 1,2-dihydroxyanthra-9,10-quinone; D and C Orange No. 15; NCGC00095227-03; Hydrogen [4-[(2-chlorophenyl)[4-[Ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobe nzyl)ammonium Na salt; Alizerine Red IPP; Spectrum2_000397; AI3-18244; KBio1_001360; ALIZARIN GREEN; NCGC00095227-01; 72-48-0; NCI60_041501; alizarin ; 1,2-Dihydroxy-9,10-anthracenedione; Turkey Red W; Spectrum5_000150; 1,2-Dihydroxy-anthraquinone; Alizarine Red B2; 1,2-Dihydroxyanthrachinon; Sanyo Carmine L2B; Brilliant Acid Green; BG01793641; Alizarina; 1328-02-5; B0791; Alizarine Red L; Alizarine Lake Red IPX; Dihydroxy-9,10-anthracenedione; Anthraquinone, 1,2-dihydroxy-; Deep Crimson Madder 10821; Pigment red 83; Turkey Red (VAN); Alizarin; 1,2-Anthraquinonediol; Mitsui Alizarine BS; Alizarine Lake Red 2P; Brilliant Milling Green; Certiqual Alizarine D; NCGC00095227-02; BSPBio_001704; Alizarine Red IP; Alizarine Red IPP; SpecPlus_000320; Alizarinprimeveroside; potassium 3-[({4-[(2-chlorophenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl]phenyl}(ethyl)amino)methyl]benzenesulfonate; Mordant Red 11; Eljon Madder M; D And C Orange Number 15; Sanyo Carmine l2BT; SDCCGMLS-0066502.P001; KBio2_000866; AIDS001373; 9,10-Anthracenedione, 1,2-dihydroxy-; D and C Orange Number 15D; NSC7212; Alizarine indicator; C01474; InChI=1/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18; ALIZARINE; MolPort-005-938-495; Turkey Red; 84754-86-9; EINECS 200-782-5; 1,2-Dihydroxy-9,10-anthraquinone; Alizarin B; MFCD00050440; W-110000; 1,2-dihydroxyanthracene-9,10-dione; 4-08-00-03256 (Beilstein Handbook Reference); NSC 7212; KBioSS_000866; 1,2-Dihydroxyanthrachinon [Czech]; I14-51626; SBB006481; Alizarine B; CCRIS 3530; Spectrum_000386; Spectrum3_000262; C.I. Pigment Red 83; NEPTUNE GREEN SG; Alizarine L paste; C.I. 58000C; KBio2_003434; Alizarine Red; KBio3_001204; Acid green 9; Alizarine Red B; LN: L C666 BV IVJ EQ FQ1; AC-20177; CBDivE_014227; Alizarine Lake Red 3P; Spectrum4_001555; DivK1c_006416; C.I. 58000; Eljon madder; Alizarine NAC | C14H8O4 | 240.21 | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| TCMBANKIN058384 | purpurin | 81-54-9; EU-0000318; AIDS-001387; C.I. Natural Red 16; SDCCGMLS-0066870.P001; Smoke Brown G; 1,2,4-trihydroxyanthra-9,10-quinone; 229148_SIAL; NCGC00095346-02; NSC 10447; CCRIS 3527; Hydroxylizaric acid; 1,2,4-trihydroxyanthracene-9,10-dione; 1,2,4-Trihydroxyanthraquinone; InChI=1/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19; Purpurin; NCIMech_000036; SBB006444; C10395; SPBio_000133; 9,10-Anthracenedione, 1,2,4-trihydroxy-; C.I. 75410; Purpurine; C.I. Natural Red 8; ZINC03861633; CHEBI:8645; Spectrum3_001947; 9,10-Anthracenedione, 1,2,4-trihydroxy- (9CI); 82631_FLUKA; C.I. 1037; 1,2,4-Trihydroxyanthrachinon [Czech]; Anthraquinone, 1,2,4-trihydroxy-; Spectrum2_000037; BSPBio_003547; EINECS 201-359-8; 4-08-00-03568 (Beilstein Handbook Reference); NCGC00095346-01; NSC10447; AIDS001387; KBio3_002835; SPECTRUM1505300; NCI60_000107; 1,2,4-Trihydroxyanthrachinon; 1,2,4-Trihydroxy-9,10-anthraquinone; 1,2,4-Trihydroxy-9,10-anthracenedione; BRN 1887127; C.I. 58205; WLN: L C666 BV IVJ DQ EQ GQ | C14H8O5 | 256.21 g/mol | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
| TCMBANKIN058440 | 2-furancarboxaldehyde | 2-Furfuraldehyde; NCGC00091328-01; Furale; Caswell No. 466; CCRIS 1044; Nci-C56177; Fural; NSC8841; Furaldehydes [UN1199] [Poison]; LS-28; AI3-04466; EPA Pesticide Chemical Code 043301; 2-Furylcarboxaldehyde; 2-Furil-metanale [Italian]; NSC 8841; Furol; Furfural; 2-furfural; 2- Furfuraldehyde; furaldehyde; 48070_FLUKA; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde; EINECS 202-627-7; furan-2-carbaldehyde; WLN: T5OJ BVH; 2-Furylaldehyde; Ant Oil, artificial; Furancarbonal; Bran oil; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; HSDB 542; Quakeral; Furfurole; Furfurale [Italian]; Furfurale; .alpha.-Furole; FURFURAL; Pyromucic aldehyde; ZINC03861345; 2-Furyl-methanal; 2-Furil-metanale; BRN 0105755; Furole; Furfural (natural); RCRA waste no. U125; Furaldehyde; Artificial ant oil; 2-Furaldehyde, purified; W248908_ALDRICH; 2-Formylofuran [Polish]; UN1199; 2-Furanaldehyde; FEMA No. 2489; 2-Furancarboxaldehyde; 185914_ALDRICH; 2-Furancarbonal; 2-Furfural; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; Artificial oil of ants; 2-Furaldehyde; RCRA waste number U125; 319910_SIAL; 2-Formylfuran; Furfuraldehyde; C14279; Furan-2-carboxaldehyde; Furfurol; SBB004386; 98-01-1; W248924_ALDRICH; 2-Furankarbaldehyd [Czech]; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde | C5H4O2 | 96.08 g/mol | C1=COC(=C1)C=O |
| TCMBANKIN058441 | Furfuranol | 2-Furanmethanol, homopolymer; Furfuralcohol; NCI-C56224; WLN: T5OJ B1Q; W249106_ALDRICH; UN2874; 2-Furancarbinol; 2-Hydroxymethylfuran; 2-Furfurylalkohol; FEMA No. 2491; HSDB 711; F19906_ALDRICH; 5-17-03-00338 (Beilstein Handbook Reference); furan-2-ylmethanol; (2-FURYL)-METHANOL (FURFURYLALCOHOL); NSC8843; 2-Furylmethanol; EINECS 202-626-1; 88161-36-8; 25212-86-6; .alpha.-Furylcarbinol; alpha-Furylcarbinol; Furylcarbinol; 93793-62-5; 2-Furanylmethanol; 2-Furylcarbinol; LS-2036; Furfurylcarb; 2-Furfuryl alcohol; InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H; 98-00-0; Furfuryl alcohol [UN2874] [Poison]; FURFURYL ALCOHOL; ZINC01648266; 185930_ALDRICH; 2-Furanmethanol; 5-Hydroxymethylfuran; AI3-01171; SBB004373; NSC 8843; CCRIS 2922; .alpha.-Furfuryl alcohol; BRN 0106291; Methanol, (2-furyl)-; 2-(Hydroxymethyl)furan; Furfural alcohol; 2-Furfurylalkohol [Czech]; Furylcarbinol (VAN); Furyl alcohol; NCGC00249166-01; alpha -Furfuryl alcohol; KSC234E7N; 2-Furylmethanol (ACD/Name 4.0); CHEBI:207496; DSSTox_CID_5347; Furfuryl alcohol, 98%; 2-Hydroxymethylfuran; 2-Furfurylalkohol; XPFVYQJUAUNWIW-UHFFFAOYSA-N; 5-17-03-00338 (Beilstein Handbook Reference); Furfuryl alcohol, natural, >=95%, FG; DSSTox_GSID_25347; 2-Furylmethanol; ACMC-20aiwg; alpha-Furylcarbinol; 2-Furane-methanol (furfurol); AKOS000119178; J-521401; 2-Furylcarbinol; F0076; D582054MUH; Z940713500; Epitope ID:136037; A845784; 5-Hydroxymethylfuran; I14-7268; Furfural alcohol; NCGC00256987-01; FEMA 2491; 40795-25-3; 2-Furanmethanol, homopolymer; NCI-C56224; Tox21_202102; WLN: T5OJ B1Q; DB-016149; DSSTox_RID_77760; 2-furan carbinol; Furanmethanol; FEMA No. 2491; HSDB 711; furan-2-ylmethanol; CHEBI:53371; Tox21_303093; NSC-8843; 2-furylmethan-1-ol; Furfuryl alcohol [UN2874] [Poison]; PubChem19996; I14-22235; 25212-86-6; 88161-36-8; .alpha.-Furylcarbinol; (Fur-2-yl)methanol; Furylcarbinol; 2-Furanmethanol (furfuryl alcohol); 2-Hydroxymethyl-Furan; 2-Furane-methanol; Furfurylcarb; RL06102; InChI=1/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H; KB-52195; 98-00-0; Furfuryl alcohol [UN2874] [Poison]; FURFURYL ALCOHOL; ANW-75422; NSC 8843; 767-EP2377611A2; CCRIS 2922; AC1Q7C2H; UN 2874; 767-EP2305688A1; Methanol, (2-furyl)-; AC1L1OL4; BR-72801; AN-17685; CJ-26639; MolPort-000-872-013; 2-Furfurylalkohol [Czech]; ST50214441; furfuryl alcohol (furfurol); UN2874; 2-Furfurylalkohol(CZECH); CTK1D4276; TC-164167; CHEMBL308187; (2-FURYL)-METHANOL (FURFURYLALCOHOL); polyfurfuryl alcohol; alpha -Furylcarbinol; Furfuryl alcohol, analytical standard; 146235-13-4; poly(furfurylalcohol); 93793-62-5; MFCD00003252; (2-furyl)methanol; LS-2036; PFFA; MCULE-4977977402; UNII-D582054MUH; 2-hydroxymethylfurane; 2-Furanmethanol; Furfuryl alcohol, 8CI; (furan-2-yl)methanol; AI3-01171; EC 202-626-1; AK-72801; TR-030270; CAS-98-00-0; AM81811; 2-furanemethanol; BRN 0106291; formaldehyde copolymer; furylmethanol; DTXSID2025347; omega-hydroxypoly(furan-2,5-diylmethylene); alpha-Furfuryl alcohol; C20441; 2-Furfurylalcohol; 2-(Hydroxymethyl)furan; Furylcarbinol (VAN); Furyl alcohol; KS-00000X7F; Furfuralcohol; (2-furyl)-Methanol; 2-Furancarbinol; Furfuryl alcohol, >=97%, FG; Furan-2-methanol; ZINC1648266; EINECS 202-626-1; 2-Furanylmethanol; poly-furfuryl alcohol; Furan-2-yl-methanol; 2-Furfuryl alcohol; Furfuranol; F0001-2310; NCGC00259651-01; SBB004373; 767-EP2377849A2; .alpha.-Furfuryl alcohol; Qo furfuryl alcohol; TRANSGENIC LECM (FURFURYL ALCOHOL) (SEE ALSO FURFURYL ALCOHOL); Furfurylalcohol; STR01021; omega-hydroxypoly(furan-2,5-diylmethylene) macromolecule; 767-EP2377610A2; NSC8843; poly(furfuryl alcohol); fur-furyl alcohol | C5H6O2 | 98.1 g/mol | C1=COC(=C1)CO |
| TCMBANKIN058643 | Coumaran | 2,3-dihydro-1-benzofuran; 37281_FLUKA; 2,3-DIHYDROBENZOFURAN; EINECS 207-817-3; Benzofuran, 2,3-dihydro-; 496-16-2; InChI=1/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H; SB 01482; 183962_ALDRICH,Kumaran | C8H8O | 120.15 g/mol | C1COC2=CC=CC=C21 |
| TCMBANKIN058683 | 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol | EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol | C15H26O | 222.37 | CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
| TCMBANKIN058692 | 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-,Acetate | Perillylacetate;Perillyl acetate;(4-isopropenyl-1-cyclohexen-1-yl)methylacetate | C12H18O2 | 194.27 g/mol | CC(=C)C1CCC(=CC1)COC(=O)C |
| TCMBANKIN058716 | β-selinene | ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene | C15H24 | 204.35 g/mol | CC(=C)C1CCC2(CCCC(=C)C2C1)C |
| TCMBANKIN058761 | (E)ocimene | (E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene | C10H16 | 136.23 g/mol | CC(=CCC=C(C)C=C)C |
| TCMBANKIN058822 | psi-Ionone | STOCK1N-19334; 6,10-Dimethylundeca-3,5,9-trien-2-one; 6,10-Dimethyl-3,5,9-undecatriene-2-one; 82536_FLUKA; 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #1; 3548-78-5; trans-.psi.-Ionone; 6,10-Dimethyl-3,5,9-undecatrien-2-one; Pseudoionone; 2,6-Dimethylundeca-2,6,8-triene-10-one; ZERO/002864; Citrylideneacetone; 3,5,9-Undecatrien-2-one, 6,10-dimethyl-; 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #3; .psi.-Ionone; 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #2; Pseudoionones; N-[2-(1-Aziridinyl)ethyl]-3,7-dimethyl-6-octen-1-amine; 141-10-6; 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-; AI3-22131; (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one; ZINC02101359; EINECS 205-457-1;Pseudoionone | C13H20O | 192.3 g/mol | CC(=CCCC(=CC=CC(=O)C)C)C |
| TCMBANKIN058836 | (5Z,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one | hydrofarnesylacetone; (5E,9E)-farnesyl acetone; farnesylacetone; CHEBI:67252; FEMA No. 3442; Farnesylacetone; trans, trans-farnesylacetone; DTXSID5061087; EINECS 212-097-9; AC1LVUAM; 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; AN-20576; (E,E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 3S0G4N267H; farnesylacetol; ST24026309; Pentadeca-5,9,13-triene-2-one, 6,10,14-trimethyl-; 46195_FLUKA; SCHEMBL17273769; SBB012619; AJ-61341; UNII-3S0G4N267H; 762-29-8; 36115P; Farnesyl acetone; 5,9,13-Pentadecatriene-2-one, 6,10,14-trimethyl-; LTUMRKDLVGQMJU-UHFFFAOYSA-N; LTUMRKDLVGQMJU-IUBLYSDUSA-N; EINECS 214-246-3; AK112408; 117F528; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]; AKOS015963256; Farnesylacetone, technical, mixture of stereo isomers, >=90% (GC); S408; Farnesyl acetone, (5E,9E)-; 6,10,14-Trimethylpentadeca-5,9,13-trien-2-one; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one; E,E-farnesylacetone; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-; 1117-52-8; ZERO/001267; Farnesylacetone, mixture of isomers; trans,trans-farnesylacetone; 5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-; AC1Q1K55; MolPort-005-306-293; MFCD00036517; ZINC12358879; KB-208683; farnesyl acetone; 2,6,10-Trimethyl-2,6,10-pentadecatrien-14-one; UNII-26A08O86E6 component LTUMRKDLVGQMJU-IUBLYSDUSA-N; (E,E)-farnesylacetone; CHEMBL486207; TRIMETHYLPENTADECATRIEN-2-ONE; MCULE-4966055907; I14-113745; Famesyl acetone; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one #; e,e-farnesylacetone; (E, E)- farnesyl acetone; Famesyl acetone | C18H30O | 262.4 g/mol | CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
| TCMBANKIN058918 | (e)-4-phenyl-3-buten-2-one | NCI60_004369; Benzalacetone; 11960_FLUKA; Methyl styryl acetone; NCGC00091356-01; 2-Phenylvinyl methyl ketone; Acetocinnamone; Benzylidene acetone (natural); 3-BUTEN-2-ONE, 4-PHENYL-, (E)-; WLN: 1V1U1R; trans-4-Phenyl-3-butene-2-one; Benzylidene acetone; 4-Phenyl-3-buten-2-one; 122-57-6; trans-Benzylidenacetone; EINECS 217-587-6; 4-Phenyl-3-butene-2-one; Methyl styryl ketone; trans-4-Phenylbut-3-en-2-one; Styryl methyl ketone; InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7; 241091_ALDRICH; Methyl beta-styryl ketone; NSC 5605; 4-phenylbut-3-en-2-one; 2-07-00-00287 (Beilstein Handbook Reference); Methyl .beta.-styryl ketone; 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; (E)-4-Phenyl-3-buten-2-one; Methyl 2-phenylvinyl ketone; ZINC01589953; Benzalaceton [German]; 1896-62-4; Ketone, methyl styryl; T5396015; trans-Benzylideneacetone; Benzalaceton; W288101_ALDRICH; AI3-52291; Methyl trans-styryl ketone; (E)-4-phenylbut-3-en-2-one; trans-Benzalacetone; Benzylideneacetone; NSC5605; EINECS 204-555-1; FEMA No. 2881; trans-4-Phenyl-3-buten-2-one; CCRIS 5319; BRN 0742047; ghl.PD_Mitscher_leg0.147; (3E)-4-phenylbut-3-en-2-one; 4-Phenylbutenone; Benzilidene acetone; 4-07-00-01003 (Beilstein Handbook Reference); AI3-00944; Benzilideneacetone; BRN 0742046; 3-Buten-2-one, 4-phenyl-; 147885_ALDRICH; (E)- benzylidene acetone; benzylideneacetone; TPBO; BWHOZHOGCMHOBV-UHFFFAOYSA-N; CJ-16027; (3E)-4-Phenylbut-3-en-2-one (Benzalacetone); W-109036; 2-Phenylvinyl methyl ketone; DSSTox_GSID_31626; A813340; Benzylidene acetone (natural); DSSTox_CID_11626; MolPort-004-288-302; t-PBO; 4-Phenyl-(E)-3-Buten-2-one; (E)-Benzylideneacetone; Benzalacetone, analytical standard; DSSTox_RID_78888; 3-Buten-2-one, 4-phenyl-, (3E)-; AKOS000119902; (E)-4-Phenyl-3-buten-2-one; LS-666; MP-2122; 1-Phenyl-1-buten-3-one; SCHEMBL312972; MFCD00008779; benzylideneacetone, (Z)-isomer; trans-4-Phenyl-3-buten-2-one, >=99%; Benzylideneacetone; TC-172858; BWHOZHOGCMHOBV-BQYQJAHWSA-N; Benzilideneacetone; RL01029; METHYL STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (1896-62-4)); Methyl styryl acetone; NCGC00091356-01; W-107746; 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; (E)-1-Buten-3-one, 1-phenyl; WLN: 1V1U1R; DTXSID1031626; Tox21_301598; SCHEMBL76632; TPBO; Epitope ID:120383; KB-47903; 4-Phenyl-3-butene-2-one; DB-003136; SMR001252234; 4-Phenyl-3-buten-2-one, 99%; Benzylideneacetone, >=98%, FG; AC1LCUWK; Methyl .beta.-styryl ketone; AN-22878; STK803195; 1896-62-4; Ketone, methyl styryl; UNII-B03X40BMT5; (E)-4-phenylbut-3-en-2-one; FT-0083233; (e)-3-buten-2-on; 4-PHENYL-2-BUTENONE; CCRIS 5319; (E)-Benzalacetone; E-4-phenyl-3-buten-2-one; ghl.PD_Mitscher_leg0.147; AK116927; B03X40BMT5; Benzilidene acetone; 4-07-00-01003 (Beilstein Handbook Reference); NCGC00255323-01; 4-PHENYL-3-BUTEN-2-ONE; METHYL TRANS-STYRYL KETONE (SEE ALSO METHYL STYRYL KETONE (122-57-6)); AN-50066; 3-Buten-2-one, 4-phenyl-; DS-4780; RTC-069523; trans-4-phenyl-but-3-en-2-one; I01-10159; trans-4-Phenyl-3-butene-2-one; AB1011458; ST51052045; EINECS 217-587-6; AJ-72632; A804921; (E)-Methyl Styryl Ketone; Methyl styryl ketone; Benzalacetone; Benzylideneacetone; Methyl styryl ketone; BENZ; InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7; Methyl beta-styryl ketone; fema 2881; NSC 5605; Methyl (E)-2-Phenylethenyl Ketone; Methyl 2-phenylvinyl ketone; CHEBI:78399; Benzalaceton [German]; MLS002454416; NCGC00091356-02; P0163; trans-Benzylideneacetone; Benzalaceton; Methyl trans-styryl ketone; EINECS 204-555-1; LS-958; FEMA No. 2881; BRN 0742047; (3E)-4-phenylbut-3-en-2-one; ST2411593; I01-5963; BRN 0742046; methyltrans-styrylketone; Benzalacetone; EC 204-555-1; Acetocinnamone; 3-BUTEN-2-ONE, 4-PHENYL-, (E)-; HMS2268K18; Benzylidene acetone; Jsp003898; 122-57-6; trans-Benzylidenacetone; NSC-5605; CHEBI:217301; AK107621; Warfarin Impurity (Benzalacetone); BBL012455; trans-Phenylvinyl Methyl Ketone; MolPort-001-779-702; CAS-1896-62-4; trans-4-Phenylbut-3-en-2-one; Styryl methyl ketone; trans-1-Phenylbut-1-en-3-one; F0001-0357; 2-07-00-00287 (Beilstein Handbook Reference); 3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE; CHEMBL73639; (E)-4-Phenyl-but-3-en-2-one; Methyl beta -STYRYL ketone; RP21073; benzylideneacetone, (E)-isomer; 4-Phenylbut-3-en-2-one; AI3-52291; trans-Benzalacetone; (3E)-4-Phenyl-3-buten-2-one; Benzalaceton (german); NSC5605; ZINC19230125; trans-4-Phenyl-3-buten-2-one; 4-Phenylbutenone; KB-47501; AI3-00944; TC-069523; 1-Buten-3-one-1-phenyl | C10H10O | 146.19 g/mol | CC(=O)C=CC1=CC=CC=C1 |
| TCMBANKIN058923 | paeonol | CBiol_000986; 2′-Hydroxy-4′-methoxyacetophenone; KBio3_002432; SPBio_002161; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; paeonol ; H35803_ALDRICH; ST5331356; NCGC00095977-01; SPECTRUM1601021; AIDS-002237; AIDS002237; Resacetophenone-4-methyl ether; 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; Paeonol; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; 2-Acetyl-5-methoxy-phenol; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); NSC 401442; Paeonal; SDCCGMLS-0066845.P001; ZINC00001906; Resacetophenone, 4-O-methyl ester; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; 4-O-Methylresacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy-; 2-hydroxy-4-methoxyacetophenone; 2'-Hydroxy-4'-methoxyacetophenone; ICCB4_000282; BRN 1282794; EINECS 209-012-2; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; 2'-hydroxy-4'-methoxyacetophenone; NSC401442; KBio3_002432; Paeonol (Peonol); CHEMBL1079227; SPECTRUM1601021; AKOS000119646; RTC-067540; M-2917; UILPJVPSNHJFIK-UHFFFAOYSA-N; Resacetophenone-4-methyl ether; BBL012127; 1-(2-Hydroxy-4-methoxyphenyl)ethanone; ST45027685; 1-(2-hydroxy-4-methoxyphenyl)ethane-1-one; UNII-3R834EPI82; Resacetophenone, 4-O-methyl ester; 4CN-0677; SR-05000002397-1; EINECS 209-012-2; FT-0618875; 2-acetyl-5-methoxyphenol; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)- (9CI); 552-41-0; AC1Q48VO; TRA0005840; SY013508; MCULE-2846207321; Paeonolum; 1-(2-hydroxy-4-methoxyphenyl)-ethanone; AB0044007; MolPort-001-537-637; SCHEMBL1449478; CCG-39471; AN-1408; 2;-Hydroxy-4;-methoxyacetophenone; CP0063; KSC490C8B; HMS3656E07; C10712; 1-[2-hydroxy-4-(methyloxy)phenyl]ethanone; AC1Q48VN; ACN-027221; SDCCGMLS-0066845.P001; KB-146762; FT-0602529; MLS006011902; CHEBI:69581; SMR000112386; Acetophenone, 2'-hydroxy-4'-methoxy-; 2'-Hydroxy-4'-methoxyacetophenone; CTK3J0180; AM20040702; BB_SC-2796; CBiol_000986; BRD-K94239562-001-02-2; InChI=1/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H; AS05193; Q-100626; 1-(2-Hydroxy-4-methoxyphenyl)ethanone #; HY-N0159; STK078097; I06-0541; MFCD00008730; NSC-401442; 3R834EPI82; KS-000004VU; PubChem3271; AK-79421; SR-05000002397; 1-(2-hydroxy-4-methoxy-phenyl)-ethanone; TC-067540; 4-Methoxy-2-hydroxyacetophenone; Acetophenone, 2'-hydroxy-4'-methoxy- (7CI,8CI); LS-101156; AJ-08110; 552H410; Paeonal; NSC 401442; SC-05288; N1847; 1-(2-hydroxy-4-methoxyphenyl)ethan-1-one; BDBM50310718; AS-15489; 4-O-Methylresacetophenone; NCGC00095977-02; ICCB4_000282; ACT07801; NSC401442; SPBio_002161; AC1L1WLK; Spectrum3_001686; 1-(2-hydroxy-4-methoxy-phenyl)ethanone; 4-methoxy 2-hydroxy acetophenone; ACMC-209lls; s2339; ST24021015; NCGC00095977-01; PAEONOL; ANW-32270; 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); 2-Hydroxy-4-methoxyacetophenone; Spectrum2_001981; AI3-10581; BSPBio_003212; Peonol; 4-08-00-01793 (Beilstein Handbook Reference); 2-Acetyl-5-methoxy-phenol; 1-acetyl-2-hydroxy-4-methoxybenzene; NCGC00095977-03; CJ-00070; Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-; DTXSID1022059; AC-7982; BRN 1282794; SBB066134; ZINC1906; ACN-S003528; 4'-Methoxy-2'-hydroxyacetophenone; 1-(4-Methoxy-2-hydroxy-phenyl)-ethanone; RP02462; P565; 2'-Hydroxy-4'-methoxyacetophenone, 99%; ethanone,1-(2-hydroxy-4-methoxyphenyl)-; peonol; Ethanone,1-(2- Hydroxy- 4- methoxyphenyl); 1-(2-hydroxy-4-methoxyphenyl)-ethanone; paeonal | C9H10O3 | 166.17 g/mol | CC(=O)C1=C(C=C(C=C1)OC)O |
| TCMBANKIN058939 | 2- acetyl furan;2- acetylfurfun;Acetylfuran;2-furyl methyl ketone;1-(2-furanyl)ethanone | 2-acetylfuran;BG01496319; InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H; FT-0610977; Acetylfuran; CHEBI:59983; MolPort-000-871-221;Acetylfuran; NSC 49133; NSC49133; Ketone, 2-furyl methyl; A16254_ALDRICH; Furan, 2-acetyl-; 48200_FLUKA; FEMA No. 3163; MFCD00003242; | C6H6O2 | 110.11 g/mol | CC(=O)C1=CC=CO1 |
| TCMBANKIN059175 | delta-elemene | delta-Elemene; g-elemene; cyclohexene,4-ethenyl-4-methyl-3-[1-methylethenyl]-1-[1-methylethyl]-; δ- elemene | C15H24 | 204.35 | CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C |
| TCMBANKIN059230 | isovalericacid | LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid | C5H10O2 | 102.13 g/mol | CC(C)CC(=O)O |
| TCMBANKIN059240 | Isovaleral | Aldehyde isovalerianique [French]; Isopentanal; beta-Methylbutanal; 2-Methylbutanal-4; C07329; 3-Methyl butyraldehyde; 3-Methylbutanal; Isovaleric aldehyde; 1-Butanal, 3-methyl-; Isopentaldehyde; W269212_ALDRICH; Isoamyl aldehyde; WLN: VH1Y1&1; 4-01-00-03291 (Beilstein Handbook Reference); 59820_FLUKA; Butanal, 3-methyl-; beta-Methylbutyraldehyde; InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H; .beta.-Methylbutanal; 3-Methylbutylaldehyde; 590-86-3; EINECS 209-691-5; 3-Methylbutyraldehyde (natural); NSC 404119; BRN 0773692; Butanal, methyl-; CCRIS 2945; NSC404119; Isoamylaldehyde; ZINC00896832; iso-C4H9CHO; W269204_ALDRICH; FEMA No. 2692; AI3-16106; HSDB 628; Isovalerylaldehyde; 3-Methylbutan-1-al; 3-Methylbutyraldehyde; 146455_ALDRICH; CHEBI:16638; 3-Methyl-1-butanal; 26140-47-6; Isovaleraldehyde; Butyraldehyde, 3-methyl-; Butanal,- methyl-; Butanal, 3- methyl-; isovaleraldehyde; 3-methyl butanal | C5H10O | 86.13 | CC(C)CC=O |
| TCMBANKIN059253 | Hexahydro-farnesyl acetone | hexahydro-farnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6, 10, 14-trimethyl-2-pentadecanone; (6S,10S)-6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl-; phytone; 6,10,14-TRIMETHYL-2-PENTADECANONE; hexahydro-farnesyl-acetone; 6,10,14-trimethyl-pentadecan-2-one; C-25231; MFCD00065420; ST049442; 13955-74-3; 2-pentadecanone, 6,10,14-trimethyl; 502-69-2; MCULE-5164481361; AC1Q5H6P; PHYTONE; 6,10,14-Trimethylpentadeca-2-one; 6,10,14-trimethyl pentadecan-2-one; STK761211; OR13502; AN-21434; CTK4J2356; MolPort-001-758-493; (R,R)-Phytone; ZX-AT021772; 2-Pentadecanone,6,10,14-trimethyl-; Hexahydrofarnesyl acetone; 6,10,14-trimethyl-2-pentadecanon; Fitone; AKOS016347358; Hexahydrofarnezylacetone; SBB012620; ZERO/001268; CC-29299; Hexahydrofarnesylacetone; 36116P; 2-Pentadecanone, 6,10,14-trimethyl-; 6,10,14-trimethyl-pentadecane-2-one; W-109084; SCHEMBL716506; Phytol ketone; AKOS001727037; SR-01000526355-1; FT-0632240; SR-01000526355; KB-85744; 6,10,14-Trimethylpentadecan-2-one; hexahydrofarnesylacetone; WHWDWIHXSPCOKZ-UHFFFAOYSA-N; EINECS 207-950-7; AC1L1V4Z; hexahydrofarnesylacetone; 6,10,14-trimethyl-2-pentadecanone; 6,10,14-trimethyl-2-Pentadeeanone; hexahydrofarnesyl acetone; 6,10,14-Trimethylpentadecan-2-one; 2-Pentadecanone, 6,10,14-trimethy-; 6, 10, 14- trimethyl- 2- pentadecanone; (6R,10R)-6,10,14-trimethylpentadecan-2-one; ZINC02169908; 6,10,14-trimethylpentadecan-2-one; 2-pentadecanone,6,10,14-trimethyl; Phytone; hexahydrofarnesyl acetone; perhydrofarnesyl acetone; FITONE | C18H36O | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| TCMBANKIN059271 | 2-methyl-propanol | isobutanol;i-Butanol;2-methyl-l-propano;CCRIS 2300; 68989-27-5; Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]; 58450_FLUKA; CHEBI:46645; LS-1756; Isobutylalkohol; 442623_SUPELCO; FEMA No. 2179; UN1212; W217913_ALDRICH; 2-Methyl propanol; 2-methylpropanol; 33064_RIEDEL; NSC5708; InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H; 320048_SIAL; 294829_ALDRICH; 1-Hydroxymethylpropane; 2-Methylpropyl alcohol; AI3-01777; Fermentation butyl alcohol; 538132_ALDRICH; Isobutylalkohol [Czech]; Isobutyl alcohol (natural); 154687_SIAL; EINECS 273-552-5; i-Butyl alcohol; ZINC01687155; Iso-butyl alcohol; 82059_FLUKA; NCGC00091851-01; Isopropylcarbinol; HSDB 49; Isobutyl alcohol; NSC 5708; 78-83-1; Isobutanol; EINECS 201-148-0; 2-Methylpropan-1-ol; WLN: Q1Y1&1; iso-C4H9OH; BRN 1730878; Alcohols, C8-13-iso-; 2-Methylpropanol-1; 2-Methyl-1-propanol; Alcool isobutylique; 1-Propanol, 2-methyl-; 58448_FLUKA; 270466_ALDRICH; RCRA waste number U140; W217905_ALDRICH; 4-01-00-01588 (Beilstein Handbook Reference); Alcool isobutylique [French]; C14710; FEMA Number 2179; RCRA waste no. U140 | C4H10O | 74.12 g/mol | CC(C)CO |
| TCMBANKIN059354 | citronellol | CHEBI:10360; 3,7 Dimethyl-6-octen-1-al; D-Dihydrogeraniol; MCULE-3946157075; (R)-Citronellol; 3,7-Dimethyl-(3R)-6-Octen-1-ol; FT-0623966; EINECS 214-250-5; AKOS028108897; FT-0772868; (+)-R-Citronellol; (+)-; (3S)-citronellol; (R)-3,7-Dimethyl-6-octen-1-ol; (+)-beta-Citronellol; (R)-beta-Citronellol; D-Citronellol; (R)-(+)-beta-Citronellol; ( inverted exclamation markA)-; (R)-(+)-beta-Citronellol, 98%; AN-20579; DB-060123; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; (+)- -Citronellol; A-Citronellol; AI3-00204; LMPR0102010008; P01OUT964K; b-citronellol; SCHEMBL21321; AC1L2RWB; 3,7-Dimethyl-6-octen-1-ol #; CJ-05233; ZINC1531601; (+)-citronellol; UNII-P01OUT964K; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; NCGC00249168-01; l-Citronellol; (R)-(+)- -Citronellol; QMVPMAAFGQKVCJ-SNVBAGLBSA-N; CITRONELLOL 70; MFCD00063215; (3R)-3,7-dimethyloct-6-en-1-ol; UNII-565OK72VNF component QMVPMAAFGQKVCJ-SNVBAGLBSA-N; (R)-3,7-Dimethyloct-6-en-1-ol; J-511419; (R)-(+)-; (R)-(+)-.beta.-Citronellol; CHEMBL1907993; (R)-(+)-beta -Citronellol; MolPort-002-535-711; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; CITRONELLOL 95; AC1Q7BSO; CIRTONELLOL 90/92; 3,7-Dimethyl-(R)-6-Octen-1-ol; FT-0623965; beta-Citronellol, (R)-; CJ-24101; (R)-3,7-dimethyl-6-octenol; C09849; (R)-(+)-Citronellol; 1117-61-9; A-Citronellol3,7-Dimethyl-6-octen-1-ol; STOCK1N-68491 CHEBI:10360; EINECS 214-250-5; (R)-3,7-Dimethyl-6-octen-1-ol; 303461_ALDRICH; (R)-()-beta-Citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (R)-; AI3-00204; β- citronellol; 6-Octen-1-ol, 3,7-dimethyl-, (theta)-; LMPR01020056; (3R)-3,7-dimethyloct-6-en-1-ol; ZINC01531601; (R)-3,7-Dimethyloct-6-en-1-ol; 6-Octen-1-ol, 3,7-dimethyl-, (3R)-; 106-22-9; C09849; (R)-(+)-Citronellol; 1117-61-9; STOCK1N-68491 C11386; (3S)-3,7-dimethyloct-6-en-1-ol; 303488_ALDRICH; LMPR01020076; LS-2078; Citronellol (ex. Java citronella oil) (natural); (-)-Citronellol; NSC 8779; CCRIS 7452; W509205_ALDRICH; 1335-43-9; EINECS 203-375-0; Citronellol (natural); (−)-beta-Citronellol; (S)-3,7-Dimethyl-6-octen-1-ol; (S)-(−)-beta-Citronellol; BRN 1721507; ZINC01532246; 7540-51-4; AI3-25080; 26489-01-0; 4-01-00-02188 (Beilstein Handbook Reference); FEMA No. 2309; 27483_FLUKA;beta-Citronellol; beta-Rhodinol; cephrol | C10H20O | 156.27 | CC(CCC=C(C)C)CCO |
| TCMBANKIN059401 | 2-Phenylbutenal | C10H10O | 146.19 | CC=C(C=O)C1=CC=CC=C1 | |
| TCMBANKIN059426 | (E)- 1-(2,6,6- trimethyl- 1,3- cyclohexadien- 1-yl)- 2- buten- 1- one | C13H18O | 190.28 g/mol | CC=CC(=O)C1=C(C=CCC1(C)C)C | |
| TCMBANKIN059531 | eucalyptol | C10H18O | 154.25 g/mol | CC1(C2CCC(O1)(CC2)C)C | |
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059571 | ZINC05224268 | C15H24 | 204.35 | CC1(CC2C1CCC3(C(O3)CCC2=C)C)C | |
| TCMBANKIN059605 | 2α-hydroxyoleanolic acid;crategolicacid;2beta-hydroxyoleanolic acid;bredemolic acid;2a- hydroxy oleanolic acid;2α,3α-dihydroxyolean-12-en-28-oic acid;masilinic acid;(2β,3β)-maslinicacid;3-epimaslinic acid ;2α,3β-dihydroxyolean-12-en-28-oicacid;augustic acid ;Maslinic acid | C30H48O4 | 472.7 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C | |
| TCMBANKIN059614 | Amyrin | C30H50O | 426.72 | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| TCMBANKIN059759 | ligustrazine | C8H12N2 | 136.19 g/mol | CC1=C(N=C(C(=N1)C)C)C | |
| TCMBANKIN059836 | thymol | C10H14O | 150.22 | CC1=CC(=C(C=C1)C(C)C)O | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059907 | (+)-alpha-Curcumene | C15H22 | 202.33 g/mol | CC1=CC=C(C=C1)C(C)CCC=C(C)C | |
| TCMBANKIN059922 | o-cresol;Phenol, 2- methyl-;2-hydroxytoluene | C7H8O | 108.14 g/mol | CC1=CC=CC=C1O | |
| TCMBANKIN059962 | cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a． alpha．,8a alpha． )- naphthalene;alpha cadinene;α-muurolene | C15H24 | 204.35 g/mol | CC1=CC2C(CC1)C(=CCC2C(C)C)C | |
| TCMBANKIN059970 | 1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene | C10H16 | 136.23 g/mol | CC1=CCC(=CC1)C(C)C | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN060040 | 2,3,5-trimethyl-pyrazine;TRIMETHYLPYRAZINE | C7H10N2 | 122.17 | CC1=CN=C(C(=N1)C)C | |
| TCMBANKIN060211 | acteoside | C29H36O15 | 624.6 g/mol | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O | |
| TCMBANKIN060529 | Tormentic acid | C30H48O5 | 488.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O | |
| TCMBANKIN060532 | corosolic acid | C30H48O4 | 472.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O | |
| TCMBANKIN060544 | alpha-amyrin | C30H50O | 426.72 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C | |
| TCMBANKIN060547 | ursolic aldehyde | C30H48O2 | 440.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C=O | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060706 | Linolenic acid ethyl ester | C20H34O2 | 306.48 | CCC=CCC=CCC=CCCCCCCCC(=O)OCC | |
| TCMBANKIN060803 | pentanoic acid | C5H10O2 | 102.13 g/mol | CCCCC(=O)O | |
| TCMBANKIN060827 | Valeraldehyde | C5H10O | 86.13g/mol | CCCCC=O | |
| TCMBANKIN060853 | CHEBI:39932 | C8H16O | 128.21 | CCCCCC(C=C)O | |
| TCMBANKIN060861 | 3-nonen-2-one | C9H16O | 140.22 | CCCCCC=CC(=O)C | |
| TCMBANKIN060881 | linoleic acid ethyl ester | C20H36O2 | 308.5 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)OCC | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060891 | 2-Amyl furan | C9H14O | 138.21 g/mol | CCCCCC1=CC=CO1 | |
| TCMBANKIN060906 | trans-2-nonenal | C9H16O | 140.22 g/mol | CCCCCCC=CC=O | |
| TCMBANKIN060918 | WLN: VH6 | C7H14O | 114.19 | CCCCCCC=O | |
| TCMBANKIN060944 | nonanoic acid | C9H18O2 | 158.24 g/mol | CCCCCCCCC(=O)O | |
| TCMBANKIN060959 | Methyl oleate | C19H36O2 | 296.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060980 | caproic acid;capric acid;n-decanoic acid;NON | C10H20O2 | 172.26 g/mol | CCCCCCCCCC(=O)O | |
| TCMBANKIN060994 | capraldehyde | C10H20O | 156.26 g/mol | CCCCCCCCCC=O | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061056 | n-pentadecanal | C15H30O | 226.4 g/mol | CCCCCCCCCCCCCCC=O | |
| TCMBANKIN061058 | n-hexadecane | C16H34 | 226.44 g/mol | CCCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061090 | n-octadecane;Oktadekan;octadecane | C18H38 | 254.49g/mol | CCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061093 | ethyloctadecanoate | C20H40O2 | 312.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061102 | LFA | C20H42 | 282.55 g/mol | CCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061122 | tricosane | C23H48 | 324.63 g/mol | CCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061127 | n-tetracosane | C24H50 | 338.65 | CCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061131 | PENTACOSANE | C25H52 | 352.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061133 | HEXACOSANE | C26H54 | 366.71 | CCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061150 | 1-hentriacontanol | C31H64O | 452.8 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061198 | 1- Pentanol | C5H12O | 88.15 g/mol | CCCCCO | |
| TCMBANKIN061202 | Butanol | C4H10O | 74.12 g/mol | CCCCO | |
| TCMBANKIN061245 | Acetic ether | C4H8O2 or CH3COOC2H5 | 88.11 g/mol | CCOC(=O)C | |
| TCMBANKIN061270 | Ethyl formate | C3H6O2 | 74.08 | CCOC=O | |
| TCMBANKIN061508 | methyleugenol | 29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene | C11H14O2 | 178.23g/mol | COC1=C(C=C(C=C1)CC=C)OC |
| TCMBANKIN061568 | EUG | 4-vinyl-2-methoxy-phenol;2- methoxy—vinylphenol;2-Methoxy-4-vinylphenol;2-methoxy-4-vinylphenol;4-Hydroxy-3-methoxyvinylbenzene; 4-vinylguaiacol; 7786-61-0; FEMA No. 2675; EINECS 232-101-2; p-Vinyl guaiacol; Phenol, 4-ethenyl-2-methoxy-; W267511_ALDRICH; p-Vinylguaiacol; CPD-1072; ZINC01849800; 4-ethenyl-2-methoxy-phenol; 3-06-00-04981 (Beilstein Handbook Reference); 2-METHOXY-4-VINYL-PHENOL; BRN 2044521; LS-2530; 4-Hydroxy-3-methoxystyrene; 31853-85-7; Phenol, 2-methoxy-4-vinyl-; Vinylcatechol-O-methyl ether, P-; 2-Methoxy-4-vinylphenol; CCRIS 548; Guaiacol, 4-vinyl-; 4-ETHENYL-2-METHOXYPHENOL | C9H10O2 | 150.17 | COC1=C(C=CC(=C1)C=C)O |
| TCMBANKIN061786 | elemicine | el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) | C12H16O3 | 208.25 g/mol | COC1=CC(=CC(=C1OC)OC)CC=C |
| TCMBANKIN061868 | o-methoxy phenol | 2-methoxyphenol;guaiacol;Guasol;Catechol mono methyl ether; DSSTox_RID_77552; SMR000059155; ANW-13634; Anastil; WLN: QR BO1; 2-Methoxyphenol; Catechol monomethyl ether; Pyrocatechol monomethyl ether; CHEMBL13766; SCHEMBL21626; AI3-05615; DB-024854; 6JKA7MAH9C; Guajacol; Guaiacol (2-Methoxyphenol); 2-Methoxyphenol, 98% 250g; 2-methoxyphenol;; Methyl Catechol; CAS-90-05-1; Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material; HMS3372N11; Guaiacol [JAN:NF]; 2-Methoxy-Phenol; 3-hydroxy-2-methoxyphenyl; 2-methoxy phenol; SBB058681; a hydroxlyated aryl lignin fragment; NCGC00090827-06; Guaiacol, Vetec(TM) reagent grade, 98%; UNII-6JKA7MAH9C; D00117; 26638-03-9; 7519-EP2295426A1; 7519-EP2316470A2; Guaicol; Guaiacol, oxidation indicator; guaiacol; Creosote (wood); guiacol; SR-01000838056-3; 2-Hydroxyanisole; Creosote, beechwood; DTXSID0023113; 7519-EP2308857A1; CCRIS 6004; o-Hydroxyanisole; AJ-63992; ZINC13512224; SR-01000838056-2; EINECS 232-419-1; RCRA waste number U051; 7519-EP2305636A1; C01502; Beechwood creosote; 2-(methyloxy)phenol; 196981-EP2371803A1; SC-18105; A843426; HMS2233P04; LHGVFZTZFXWLCP-UHFFFAOYSA-N; Guaiacol, natural, >=99%, FG; HMS2089D18; AB00876226_07; Tox21_202990; MFCD00002185; Guaiastil; guaiacol (liquid) extra pure; bmse000436; NCGC00090827-03; CREOSOTE, WOOD; orthomethoxyphenol; AB00876226-06; 7519-EP2305683A1; 2-Methoxyphenol, Catechol monomethyl ether, Pyrocatechol monomethyl ether; NSC3815; Guaiacol [JAN]; methoxy phenol; AK114448; 6-methoxyphenol; Guajakol [Czech]; NCGC00090827-02; ST2410094; FEMA No. 2532; EC 201-964-7; CS-D1347; Methylcatachol; Guaiacol, SAJ first grade, >=98.0%; Creosote [JAN]; 7519-EP2308861A1; JZ3; STL281868; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; o-Guiacol; HSDB 1979; NCGC00090827-01; SR-01000838056; M0121; 7519-EP2316832A1; DSSTox_CID_3113; o-methoxy-Phenol; Guaiacol (natural); Tox21_400004; Guaiacol, European Pharmacopoeia (EP) Reference Standard; ortho-Guaiacol; Guajakol; Phenol, 2-methoxy-; PS-3252; Guaicolina; ACMC-209784; EBD2205193; NSC-760376; Pyrocatechol monomethyl ether; 7519-EP2314584A1; D02JUW; NSC760376; C15572; AN-17339; 7519-EP2311839A1; Phenol, o-methoxy-; Wood creosote; 2-Methoxyphenol; Creosote; Tox21_111031; 7519-EP2314589A1; AB1001888; ortho-methoxyphenol; CCG-214035; bmse010027; Creosote (wood tar); AC1Q46B5; I01-6054; 1-Hydroxy-2-methoxybenzene; o--methoxyphenol; TR-028311; LS-1906; NCGC00090827-07; 7519-EP2316837A1; 7519-EP2316833A1; EINECS 201-964-7; BDBM50240369; 196981-EP2269977A2; KS-00000KSX; 1990/5/1; Guajol; AC1L19AA; ST50214385; 7519-EP2295427A1; o-Guaiacol; CAS-8021-39-4; Guasol; HSDB 4241; MLS001055375; NCGC00090827-04; 8021-39-4; RTR-028311; ghl.PD_Mitscher_leg0.900; DSSTox_RID_76880; Pyroguaiac acid; MolPort-000-871-969; NCGC00090827-05; UNII-3JYG22FD73; Beechwood creosote (Fagus spp.); Creodon (TN); Pharmakon1600-01506165; Hydroxyanisole; Nat.Guaiacol; F2173-0425; 2-methoxyl-4-vinylphenol; O-Methyl catechol; o-Methoxyphenol; Creodon; CTK1A4914; KB-30331; Guaiacol (JAN); NCGC00258688-01; Pyrocatechol methyl ester; DB11359; 7519-EP2311821A1; Methylcatechol; AKOS000118831; Guaiacol, puriss., 99%; 3JYG22FD73; NSC 3815; NCGC00260535-01; Catechol monomethyl ether; STR03604; Guaiacol, United States Pharmacopeia (USP) Reference Standard; HMS3715E11; 1- hydroxy-2-methoxybenzene; KSC204S1J; 7519-EP2292227A2; DSSTox_GSID_24853; 196981-EP2377843A1; FT-0626815; NSC-3815; MCULE-5627336368; Q-100002; CCRIS 2943; 2-methoxyphenol (guaiacol); CHEBI:28591; DSSTox_GSID_23113; Phenol, methoxy-; Tox21_201136;HSDB 4241; 90-05-1; Anastil; 8021-39-4; Guaicolina; ZINC00001521; WLN: QR BO1; ghl.PD_Mitscher_leg0.900; Pyrocatechol monomethyl ether; 50880_FLUKA; AI3-05615; Pyroguaiac acid; Guaiastil; Methoxyphenol; AIDS-107096; NCGC00090827-03; CREOSOTE, WOOD; Guajacol; Creodon (TN); NSC3815; Guaiacol [JAN]; C15572; Creodon; o-Methoxyphenol; 2-Methoxyphenol; Guajakol [Czech]; O-Methyl catechol; Phenol, o-methoxy-; NCGC00090827-02; Guaiacol (JAN); W253200_ALDRICH; D00117; FEMA No. 2532; Pyrocatechol methyl ester; Methylcatechol; 26638-03-9; Guaicol; CPD-400; NSC 3815; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; guaiacol; NCGC00090827-01; Catechol monomethyl ether; G5502_SIGMA; ST5214385; 1-Hydroxy-2-methoxybenzene; 2-Hydroxyanisole; AIDS107096; o-Hydroxyanisole; Guaiacol (natural); EINECS 201-964-7; Phenol, 2-methoxy-; Guajol; CCRIS 2943; C01502; o-Guaiacol; CHEBI:28591; Phenol, methoxy- | C7H8O2 | 124.14 g/mol | COC1=CC=CC=C1O |
植物对应的疾病
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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