Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE008552 |
ID: | TCMBANKHE008552 |
植物拉丁名: |
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功能与主治: | 1. Cool the blood and stop bleeding. 2. Clear away heat and promote diuresis. 3. Lower blood pressure./Blood ejection, spontaneous external bleeding, hemoptysis, hematuria, flooding and spotting, red eyes with gall, eyeground hemorrhage, hypertension, red and white dysentery, nephritis with edema, chyluria. |
药用植物名: | 荠菜 |
药用部位: | whole herb with root |
临床特征: | 1. Its infusion shortens the clotting time in rabbits. 2. Its decoction increases the uterine contractility of rats in vitro. 3. Its alcoholic extract promotes the contraction of small intestine of guinea-pigs |
治疗类型: | 利水渗湿药 |
TCM_ID_id: | 1301 |
SymMap_id: | 313 |
TCMSP_id: | 976 |
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 |
|---|
| TCMBANKIN000094 | choline | Choline chloride; choline hydroxide | C5H14NO+ | 104.17 g/mol | C[N+](C)(C)CCO |
| TCMBANKIN000112 | yohimbine | Prestwick2_000584; 146-48-5; InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12?,15?,17?,18-,19+/m0/s; (16alpha,17alpha)-17-Hydroxy-yohimban-16-carboxylic acid methyl ester; KBio3_001032; Prestwick1_000584; Yohimbic acid methyl ester; 4-25-00-01237 (Beilstein Handbook Reference); IDI1_002213; Lopac0_001210; (+)-Yohimbine; Yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI); BRN 0097276; Johimbin; 146-48-5 (FREE BASE); Yohimbine; Bio1_001433; Yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester; Corynine; 17-Hydroxy-yohimbane-16-carboxylic acid methyl ester; Bio1_000455; KBio3_001031; C09256; BSPBio_000428; 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester; KBio2_005712; Aphrosol; Bio2_000938; 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester; KBioSS_000576; KBio2_000576; (+)-Yohimbin; Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.; Yohimban-16-.alpha.-carboxylic acid, 17-.alpha.-hydroxy-, methyl ester; SMP1_000320; Yohimbol-16alpha-carboxylic acid, methyl ester (6CI); BCBcMAP01_000032; Quebrachine; KBio2_003144; BB_NC-1430; CHEBI:10093; Prestwick0_000584; EINECS 205-672-0; AIDS011945; Prestwick3_000584; 17-Hydroxyyohimban-16-carboxylic acid methyl ester; methyl (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate; Yohimbin; Bio2_000458; KBioGR_000576; NSC19509 (HCL); BSPBio_001236; AIDS-011945; 65-19-0 (HCL); Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)- (9CI); trans-Quinolizidine yohimbine; Quebrachin; (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester; Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-; nchembio705-2; Bio1_000944; methyl 17alpha-hydroxyyohimban-16alpha-carboxylate; BPBio1_000472; APHRODINE; SPBio_002647 | C21H26N2O3 | 354.44 | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
| TCMBANKIN000778 | Ye acetate ester | ||||
| TCMBANKIN001762 | ergocristine | C35H39N5O5 | 609.71 | CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | |
| TCMBANKIN001847 | 2-propoxypropane | BRN 1697061; Ether, isopropyl propyl; Propane, 1-(1-methylethoxy)-; 627-08-7; Isopropyl propyl ether; 1-(1-Methylethoxy)propane; PROPYL ISOPROPYL ETHER | C6H14O | 102.17 | CCCOC(C)C |
| TCMBANKIN002064 | ethanolamine | C2H8NO+ | 62.09 g/mol | C(CO)[NH3+] | |
| TCMBANKIN002345 | Luteone | CHEBI:27917; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; C10498; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromenone; 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-; Luteone (isoflavone); 6-isopentenyl-2'-hydroxygenistein; ACon1_000606; luteone; 41743-56-0; MEGxp0_000744; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one; 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | C20H18O6 | 354.35 | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)C |
| TCMBANKIN002893 | Sulfoorientalol A | sulfoorientalol a; (1S,3aR,4R,8aS)-1,2,3,3a,4,5,6,8a-Octahydro-4-hydroxy-1,4-dimethyl-7-(1-methylethyl)-1-azulenesulfonic acid | C15H26O4S | 302.4 g/mol | CC(C)C1=CC2C(CCC2(C)S(=O)(=O)O)C(CC1)(C)O |
| TCMBANKIN002987 | Paracetat | propan-2-yl acetate; Isopropyl acetate; Acetic Acid, isopropyl ester; Isopropyl (acetate d') [French]; NSC9295; 45960_FLUKA; Isopropyl acetate [UN1220] [Flammable liquid]; Isopropylacetat; WLN: 1YOV1; Acetate d'isopropyle [French]; NCGC00091731-01; 185477_ALDRICH; 537462_ALDRICH; Acetic acid, 1-methylethyl ester; 90871_FLUKA; 2-Propyl acetate; Isopropile (acetato di) [Italian]; 2-Acetoxypropane; 112992_ALDRICH; UN1220; Isopropyl ethanoate; 1-Methylethyl acetate; HSDB 159; propan-2-yl ethanoate; Isopropyle (acetate d') [French]; InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H; Isopropylacetaat; CCRIS 6053; 4-02-00-00141 (Beilstein Handbook Reference); Isopropyl(acetate d'); W292605_ALDRICH; Isopropylacetaat [Dutch]; Isopropylacetat [German]; BRN 1740761; Acetate d'isopropyle; acetic acid isopropyl ester; EINECS 203-561-1; Isopropylester kyseliny octove [Czech]; FEMA No. 2926; NSC 9295; ZINC00388088; Isopropile(acetato di); 108-21-4 | C5H10O2 | 102.13 | CC(C)OC(=O)C |
| TCMBANKIN004483 | Dihydrofoliamenthin_qt | C26H38O12 | 542.57 | ||
| TCMBANKIN004592 | Robinetin | NSC-656274; WLN: T66 BO EVJ CR CQ DQ EQ& DQ IQ; 3,3'',4'',5'',7-pentahydroxy flavone; SR-05000002311-2; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone; EINECS 207-709-6; LS-69031; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl); 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone; ST24041297; NSC407331; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); KB-234373; 3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one; AK112322; 5-Hydroxyfisetin; AKOS016009494; W1691; UNII-KJ6DBC4U7E; BDBM50033767; MFCD00016783; NCGC00163615-01; NSC-407331; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromone; SOEDEYVDCDYMMH-UHFFFAOYSA-N; NSC656274; Flavone,3',4',5',7-pentahydroxy-; 5-Deoxymyricetin; LMPK12111577; robinetin; 5-18-05-00562 (Beilstein Handbook Reference); SCHEMBL217743; CCG-208323; FT-0724738; ST50309242; CHEBI:8876; 4CN-0354; AX8150478; NSC 656274; MolPort-004-960-055; 3,7,3',4',5'-pentahydroxyflavone; ZINC4098600; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; BRN 0308905; AIDS071290; SR-05000002311; NSC 407331; 3,3',4',5',7-Pentahydroxyflavone; CCRIS 7520; FLAVONE, 3,3',4',5',7-PENTAHYDROXY-; 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; 3,7-Dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one; 490-31-3; C10177; AIDS-071290; CHEMBL170405; Norkanugin; AC1NQYWM; ST5309242; MCULE-2330347941; DTXSID30197654; KJ6DBC4U7E; D07NAY; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-; 3,7,3',4',5'-Pentahydroxuflavone; AJ-48014; 3,7,3'',4'',5''-Pentahydroxyflavone | C15H10O7 | 302.24 | C1=CC2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O |
| TCMBANKIN004839 | GCS | AIDS000694; 14257-69-3; 6490-70-6 (.ALPHA.-FORM); C08349; KBioGR_000970; Spectrum5_000756; (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol; BSPBio_002086; beta-D-Glucosamine; KBio2_001311; IDI1_000261; (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; KBio3_001306; CHEBI:28393; SPBio_000477; 90-77-7; NINDS_000261; (2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol; KBio2_003879; Spectrum2_000519; D-Glucose, 2-deoxy-2-Amino-; KBio1_000261; AIDS-000694; KBio2_006447; Spectrum3_000443; Spectrum4_000565; Spectrum_000831; KBioSS_001311; 28905-10-4 (.BETA-FORM); DivK1c_000261 | C6H13NO5 | 179.17 | C(C1C(C(C(C(O1)O)N)O)O)O |
| TCMBANKIN004857 | sorbitol | S0900_SIGMA; 8036-93-9; LS-188010; S8143_SIGMA; 85529_FLUKA; Sorbitol FP; 8013-15-8; 15060-73-8; 63800-20-4; 3959-53-3; Sorbitol F solution; Karion instant; S7547_SIGMA; CCRIS 1898; S6021_SIGMA; Multitol; FEMA No. 3029; 47841_SUPELCO; NSC 25944; D00096; EINECS 200-061-5; 36134-87-9; 75398-79-7; Neosorb P 20/60; CHEBI:17924; W302902_ALDRICH; Neosorb 70/02; Hexahydric alcohol; Sorbitol (NF); Foodol D 70; D-Sorbit; Neosorb P 60; 8045-74-7; SOR; Glucarine; Sorbitol solutions; 8046-05-7; Sionit K; D-Sorbitol (JP15); 97336_FLUKA; ZINC02042995; 1,2,3,4,5,6-Hexanehexol; S1876_SIGMA; Sorbitol F; 309532_ALDRICH; Neosorb 20/60DC; 8014-89-9; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; Sorbitol 3% in plastic container; S3889_SIGMA; 8042-39-5; Sorbitol 3% in plastic container (TN); HSDB 801; AI3-19424; (-)-Sorbitol; D-Sorbite; Neosorb 70/70; Karion (carbohydrate); 98201-93-5 | C6H14O6 | 182.17 | C(C(C(C(C(CO)O)O)O)O)O |
| TCMBANKIN005097 | N- acetyl glutamate | C7H11NO5 | 189.17 g/mol | CC(=O)NC(CCC(=O)O)C(=O)O | |
| TCMBANKIN005228 | Cis-4-heptenal | C7H12O | 112.17 g/mol | CCC=CCCC=O | |
| TCMBANKIN006754 | MLT | NSC9232; 97-67-6; nchembio867-comp7; 02288_FLUKA; L-2-Hydroxybutanedioic acid; M7397_SIGMA; L-Apple acid; (2S)-2-hydroxysuccinic acid; L-Malic acid; 112577_ALDRICH; S-(-)-Malic acid; M1000_SIGMA; C00149; (-)-Hydroxysuccinic acid; L-(-)-Malic acid; L-(−)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(−)-2-Hydroxysuccinic acid; (S)-Malic acid; (-)-Malic acid; MALIC ACID, (L); M6413_SIGMA; CHEBI:30797 | C4H6O5 | 134.09 | C(C(C(=O)O)O)C(=O)O |
| TCMBANKIN008560 | 2-methyl Undecanal | C12H24O | 184.32 g/mol | CCCCCCCCCC(C)C=O | |
| TCMBANKIN008636 | acetylcholine | Vagusstoff; AC1NSTAT; Acetylcholine Hydroxide; 2-acetyloxyethyl(trimethyl)azanium hydroxide; SCHEMBL3904052; 56-13-3 | C7H16NO2+ | 146.21 g/mol | CC(=O)OCC[N+](C)(C)C |
| TCMBANKIN008851 | Bromo-4-methyl-cyclohexane | ||||
| TCMBANKIN008912 | CYCLODODECANE | cyclododecane; 46133-53-3; 294-62-2; InChI=1/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H; BRN 1901008; ST5409768; 4-05-00-00169 (Beilstein Handbook Reference); EINECS 206-033-9; HSDB 5557; Cyclododecane | C12H24 | 168.32 | C1CCCCCCCCCCC1 |
| TCMBANKIN010117 | 2-methyl-4-pentenoic acid | C6H10O2 | 114.14 g/mol | CC(CC=C)C(=O)O | |
| TCMBANKIN010460 | 2-HEXENE | (E)-hex-2-ene; 4050-45-7; 2-Hexene (cis?); NSC74123; 2- hexene; Hexene, isomer; EINECS 223-752-3; Methylpentene, homopolymer; 2-Hexene,c&t; (2E)-hex-2-ene; 52960_FLUKA; 26266-02-4; NSC 74123; Hexene, isomers; 52965_FLUKA; 25264-93-1; 2-hexene, (2E)-; 2-Hexene, (E)- (8CI)(9CI); 2-HEXENE (TRANS); (E)-2-Hexene; hex-2-ene; 110892_ALDRICH; InChI=1/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3; HSDB 5143; trans-2-Hexene; 477001_ALDRICH; Poly(methylpentene); 2-Hexene, (E)-; EINECS 246-768-2; 9016-80-2; trans-Hex-2-ene | C6H12 | 84.16 | CCCC=CC |
| TCMBANKIN010658 | 2-Ethylhexenal | EINECS 211-448-3; InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6; 2-Ethyl-3-propylacrolein; AIDS-017581; AIDS017581; 2-Ethyl-3-propylacrylaldehyde; 2-Ethyl-2-hexenol; 645-62-5; Acrolein, 2-ethyl-3-propyl-; NSC4787; FR-0969; NSC 4787; WLN: VHY2&U4; 128744-21-8; 2-Ethyl-2-hexenal; (2E)-2-ethylhex-2-enal; alpha-Ethyl-beta-N-propylacrolein; 2-Hexenal, 2-ethyl-; HSDB 1120; 2-Ethylhex-2-enal; AI3-08105; alpha-Ethyl-beta-propylacrolein; (E)-2-ethylhex-2-enal; SBB008156; CCRIS 4645; 2-Ethyl-3-propyl acrolein; .alpha.-Ethyl-.beta.-propylacrolein; 26266-68-2; .alpha.-Ethyl-.beta.-N-propylacrolein; PM 2015; 2-Ethylhex-2-en-1-al; CCRIS 4644; 2-Ethyl-2-hexen-1-al; EINECS 247-571-4; Hexenal, 2-ethyl- | C8H14O | 126.2 | CCCC=C(CC)C=O |
| TCMBANKIN013064 | Methoxy phenyl oxime | Methoxyphenyl oxime | |||
| TCMBANKIN014107 | Gossypetin-7-methylether | 3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxy-chromone; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxy-chromen-4-one; LMPK12113233; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxychromen-4-one; 2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-methoxy-4-chromenone; gossypetin-7-methylether; 2-(3,4-dihydroxyphenyl)-3,5 ,8-trihydroxy-7-methoxy-4h-1-benzopyran-4-one; Ranupetin; AC1NSW2X | C16H12O8 | 332.26 g/mol | COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)O)O |
| TCMBANKIN014350 | Tar | 95330_FLUKA; NCIStruc2_000222; CHEBI:15672; NSC-155080; 95320_FLUKA; C02107; T206_ALDRICH; (S,S)-Tartrate; NCIStruc1_000172; T400_ALDRICH; D-threaric acid; (2S,3S)-2,3-dihydroxybutanedioic acid; (2S,3S)-Tartaric acid; DL-2,3-Dihydroxybutanedioic acid; 483796_ALDRICH; D-Tartaric acid; D-Tartrate; D(-)-TARTARIC ACID; D-(−)-Tartaric acid; (S,S)-Tartaric acid; 03918_FLUKA; (-)-Weinsaeure; 147-71-7; Linksweinsaeure; (-)-Tartaric acid; NCI155080; (2S,3S)-(−)-Tartaric acid; NCGC00014424 | C4H6O6 | 150.09 | C(C(C(=O)O)O)(C(=O)O)O |
| TCMBANKIN014758 | Gossypetin hexamethyl ether | DTXSID60228122; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one; 7741-47-1; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-chromen-4-one; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-4-chromenone; gossypetinhexamethyl ether; SCHEMBL988273; 3,5,7,8,3',4'-Hexamethoxyflavone; 3,3',4',5,7,8-Hexamethoxyflavone; 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-chromone; LMPK12113255; AC1L3SJ8; 2-(3,4-Dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one; gossypetin hexamethyl ether; 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy- | C21H22O8 | 402.39 | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC)OC |
| TCMBANKIN015376 | 2,3-dihydro-3-amino-benzoic acid | ||||
| TCMBANKIN016209 | Methyl acetoacetate | C5H8O3 | 116.11 g/mol | CC(=O)CC(=O)OC | |
| TCMBANKIN016585 | P-dichlorobenzene | C6H4Cl2 | 147 g/mol | C1=CC(=CC=C1Cl)Cl | |
| TCMBANKIN016638 | Bromo-cycloheptane | C7H13Br | 177.08 g/mol | C1CCCC(CC1)Br | |
| TCMBANKIN017474 | Glutamine | C5H10N2O3 | 146.14 g/mol | C(CC(=O)N)C(C(=O)O)N | |
| TCMBANKIN017883 | 2-ethylhexanal | 2-ethyl-hexanal | C8H16O | 128.21 | CCCCC(CC)C=O |
| TCMBANKIN020610 | 3-hexenyl acetate butyrate | ||||
| TCMBANKIN022566 | Diosphenol | SCHEMBL873797; C09854; EINECS 207-704-9; AC1L2WHG; AC1Q6D64; QSIMLPCPCXVYDD-UHFFFAOYSA-N; Buchu camphor; 1-p-menthen-2-ol-3-one; CTK8I8590; LMPR0102090061; Barosma camphor; AKOS022505068; 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-; DTXSID5052127; diosphenol; Buccocamphor; AN-21384; 2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one; 2-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one #; 2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one; 2-hydroxy-6-isopropyl-3-methyl-cyclohex-2-en-1-one; 2-Hydroxypiperitone; 490-03-9; CHEBI:4632; 2-Hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one | C10H16O2 | 168.23 | CC1=C(C(=O)C(CC1)C(C)C)O |
| TCMBANKIN022806 | 2,2,6-trimethyl-cycloheptane | C25H46 | CCCCC(C)CC=CC(C)CC(C)C=C1CC(C(CCC1C)C)C | ||
| TCMBANKIN023361 | 2-(phenylmethylene)heptanol | C16H22O2 | CCCCCC(=CC1=CC=CC=C1)COC(=O)C | ||
| TCMBANKIN023751 | 4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexa-2,5-dien-1-one | 4-hydroxy-4-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-1-cyclohexa-2,5-dienone; 4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]cyclohexa-2,5-dien-1-one; 4-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]cyclohexa-2,5-dien-1-one | 316.34 | ||
| TCMBANKIN024227 | Dihydrofoliamenthin | [5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (Z,2S)-8-hydroxy-2,6-dimethyloct-6-enoate; dihydrofoliamenthin; AC1O3D7B | C26H38O12 | 542.57 | CC(CCCC(=CCO)C)C(=O)OC1CC2C(C(OC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O)C=C |
| TCMBANKIN024320 | helveticoside | (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; erysimin; HMS1570A13; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde; AC1O8PXE; Strophanthidin 3-O-beta-D-digitoxoside; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; Helveticoside; Prestwick0_000646; Prestwick1_000646; (5S,8R,9S,10S,13R,14R,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; STOCK1N-57086; C08869; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; SPBio_002572; (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde; 630-64-8; Prestwick2_000646 | C29H42O9 | 534.64 | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O |
| TCMBANKIN025169 | Garbanzol | 1226-22-8; SCHEMBL9663852; (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone; AC1MR5CU; C09751; (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one; 3,7,4'-Trihydroxyflavanone; garbanzol; 3,7,4'-Trihydroxyflavanon; 3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; 3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one; (2R,3R)-3,4',7-Trihydroxyflavanone | C15H12O5 | 272.25 | C1=CC(=CC=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O |
| TCMBANKIN025392 | silicon* | ||||
| TCMBANKIN029324 | Pyrazine-2-methoxy-3-sec | C9H16N2O | CCC(C)C1(C=NC=CN1)OC | ||
| TCMBANKIN029577 | sec-hydroxyaegineticacid | sec-hydroxyaeginetic acid | C15H24O5 | 284.35 g/mol | CC(=CC(=O)O)C=CC1(C(C(CCC1(C)O)O)(C)C)O |
| TCMBANKIN030566 | Valeric anhydride | C10H18O3 | 186.25 g/mol | CCCCC(=O)OC(=O)CCCC | |
| TCMBANKIN030658 | Tetrahydropyran-2-methanol | C6H12O2 | 116.16 g/mol | C1CCOC(C1)CO | |
| TCMBANKIN030985 | catapol | C15H22O10 | 362.33 | C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O | |
| TCMBANKIN031914 | hespertitinic acid | ||||
| TCMBANKIN033537 | Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol | Robinetinidol-(4alpha-->8)-catechin-(6-->4alpha)-robinetinidol; (2R,3S)-2-(3,4-dihydroxyphenyl)-6,8-bis[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-yl]chroman-3,5,7-triol; 85820-29-7; C10239; (2R,3S)-2-(3,4-dihydroxyphenyl)-6,8-bis[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromanyl]chroman-3,5,7-triol | C45H38O18 | 866.77 | C1C(C(OC2=C(C(=C(C(=C21)O)C3C(C(OC4=C3C=CC(=C4)O)C5=CC(=C(C(=C5)O)O)O)O)O)C6C(C(OC7=C6C=CC(=C7)O)C8=CC(=C(C(=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O |
| TCMBANKIN033576 | (E, E)-2,4- hexadienal | (E, E)-2,4-hexadienal | C6H8O | 96.13 g/mol | CC=CC=CC=O |
| TCMBANKIN033986 | 4,4-DIMETHYLHEXANAL | Hexanal, 4,4-dimethyl-; 5932-91-2 | C8H16O | 128.21 | CCC(C)(C)CCC=O |
| TCMBANKIN034407 | 8-azabicyclo[5.1.0]octane | C7H13N | 111.18 | C1CCC2C(N2)CC1 | |
| TCMBANKIN034999 | Three dimethyl sulfoxide | ||||
| TCMBANKIN035349 | Ring tetradecane | ||||
| TCMBANKIN036365 | Ethyl fenugreek lactone | C7H10O3 | 142.15 g/mol | CCC1C(=C(C(=O)O1)O)C | |
| TCMBANKIN036662 | IPA | Isopropyl alcohol (manufacturing-strong acid process only); sec-Propyl alcohol; 34965_RIEDEL; i-Propanol [German]; 278475_ALDRICH; 443425_SIAL; CHEBI:17824; Caswell No. 507; Alcool isopropilico; 563935_ALDRICH; Alcosolve 2; EPA Pesticide Chemical Code 047601; Alcool isopropylique; Takineocol; 442369_SUPELCO; c0519; NCGC00090917-01; Isopropyl alcohol [USAN]; Ethyl, 1-hydroxy-1-methyl-; Isopropanol; 92438_FLUKA; EINECS 200-661-7; Combi-schutz; N-Term LC Solvent System B; Avantine; ZINC00901159; 67-63-0; 673773_ALDRICH; sec-propanol; i-Propylalkohol [German]; AIDS-186244; 40279_RIEDEL; Secondary alcohol; 2-Hydroxypropane; BRN 0635639; LS-1565; Alcojel; D00137; Lutosol; 2-Propyl alcohol; 4-01-00-01461 (Beilstein Handbook Reference); Isopropanol (JP15); I9782_SIGMA; 1-Methylethanol; 154970_SIAL; Alcool isopropilico [Italian]; Isopropryl alcohol; 1-Methylethyl alcohol; 8013-70-5; NSC135801; HSDB 116; Isopropyl alcohol (USP); 439207_ALDRICH; 40343_RIEDEL; 34895_RIEDEL; UN1219; CCRIS 2308; WLN: QY1&1; 59309_FLUKA; Spectrar; Alkolave; FEMA No. 2929; I9516_SIGMA; Alcool isopropylique [French]; 2-Propanol : Water 31:69 with 0.1% buffer; i-Propyl alcohol; secondary alcohols; Alcolo; Alcohol, rubbing; Iso-propylalkohol; Isopropenol; Imsol A; 40314_RIEDEL; Iso-propylalkohol [German]; C01845; i-propanol; Arquad DMCB; 1-Hydroxy-1-methylethyl; Lavacol; Sterisol hand disinfectant; NSC 135801; 2-Propanol solution; Isopropyl alcohol; AI3-01636; Visco 1152; 34959_RIEDEL; 40301_RIEDEL; 91237_FLUKA; FEMA Number 2929; Isopropylalkohol; 2-PROPANOL, ISOPROPANOL; IOH; 534021_ALDRICH; Isopropyl alcohol (only persons who manufacture by the strong acid process are subject, supplier notification not required); 24137_RIEDEL; i-Propylalkohol; 190764_SIAL; Isopropyl alcohol, rubbing; CHEBI:35681; Rubbing alcohol; Isopropyl alcohol (manufacture strong-acid process); 59304_FLUKA; 34863_SIAL; Isohol; Isopro; I9030_SIGMA; 33539_RIEDEL; ST5214369; 650447_ALDRICH; Hartosol; Avantin; AIDS186244; Isopro (TN); Petrohol; 5131-95-3; 2-Propanol; W292907_ALDRICH; R-CHOH-R'; n-Propan-2-ol; Iso-propyl alcohol; Isopropanol or isopropyl alcohol [UN1219] [Flammable liquid]; Dimethylcarbinol; Propan-2-ol; InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H; Alcosolve; Propol; 675431_ALDRICH; 437522_SIAL; 40219_RIEDEL; 109827_ALDRICH | C3H8O | 60.1 | CC(C)O |
| TCMBANKIN036853 | catalpol | Catalpol; LMPR01020108; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-; 2415-24-9; Catalpinoside; NCGC00163523-01; beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-; Catalposide, des-p-hydroxybenzoyl-; De(p-hydroxybenzoyl)catalposide; (1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside; C09773; EINECS 219-324-0 | C15H22O10 | 362.33 | C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN036863 | hesperidin | Hesperetin 7-O-rutinoside; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-alpha-L-rhamnosyl-delta-glucoside) (7CI); (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone; 15512-51-3; Hesperitin-7-rhamnoglucoside; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one; Hesperetin-rutinosid; 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon; 520-26-3; CHEBI:28775; (S)-7-[[6-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one; 5-18-05-00218 (Beilstein Handbook Reference); hesperidin ; BSPBio_000619; Hesperidin; BRN 0075140; Atripliside B; 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-; D01038; BCBcMAP01_000136; 3',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on; 7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one; CCRIS 3940; Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(6-O-a-L-rhamnosyl-D-glucoside) (7CI); Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-; NSC 44184; (S)-(--)-hesperidin; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; Prestwick3_000400; 106904-63-6; 28283-75-2; Hesperidine; C09755; AIDS-001414; 16643-24-6; SMP1_000149; Ciratin; Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside); Hesperidin (JAN); 17654-22-7; 32737-61-4; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-; Hesperetin-rutinoside; EINECS 208-288-1; STOCK1N-12322; AIDS001414; BPBio1_000681; 30927-97-0; Hesper bitabs; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-; (2S)-Hesperidin | C28H34O15 | 611 | C([H])([H])([H])[C@]1([H])O[C@@]([H])(OC([H])([H])[C@]2([H])O[C@]([H])(Oc3c([H])c(O[C@@]([H])(c4c([H])c([H])c(OC([H])([H])[H])c(O[H])c4[H])C([H])([H])C5=O)c5c(O[H])c3[H])[C@@]([H])(O[H])[C@]([H])(O[H] )[C@@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
| TCMBANKIN036880 | diosmin | 520-27-4; C10039; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.- D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; Diosmin [INN]; Diosmetin 7-O-rutinoside; AIDS059330; Diosmine [INN-French]; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one; Diosminum [INN-Latin]; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone; AIDS-059330; Diosmin [INN-Spanish]; 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-; 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone; CCRIS 7915; SMP1_000183; EINECS 208-289-7; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one; D3908; diosmin ; Diosmin; STOCK1N-14729 | C28H32O15 | 608.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
| TCMBANKIN037440 | Uridine | URI; SBB000838; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione; SMR000058222; MLS000069625; AIDS185903; 1-beta-D-Ribofuranosyluracil; NSC 20256; 1-[(2R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PYRIMIDINE-2,4-DIONE; SY005419; AKOS015960347; MolPort-005-932-481; AC-10519; araU; 12693-39-9; ZINC02583633; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione; AB0012293; Uracil-1-beta-D-ribofuranoside; SCHEMBL890304; NCGC00142368-01; C00299; 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione; BG00950366; U3750_SIGMA; Uridine, labeled with tritium; AI3-52690; AIDS-185903; U3003_SIGMA; AS-12665; Uracil, 1-beta-D-ribofuranosyl-; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone; 21231-59-4; U6381_SIGMA; SMP1_000029; CHEBI:16704; 68184-15-6; 1-((2r,5r)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione; 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; EINECS 200-407-5 | 244.201 | ||
| TCMBANKIN039338 | rehmapicrogenin | C10H16O3 | 184.23 g/mol | CC1=C(C(CCC1O)(C)C)C(=O)O | |
| TCMBANKIN041371 | Fumaricine | (1R,8'S)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; Fumaricin; C09444; (1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; BRD-A87196087-001-01-3; O-Methylfumarophycinol; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-; 24181-77-9; 6',7'-DIMETHOXY-2'-METHYL-3',4',6,8-TETRAHYDRO-2H-SPIRO[INDENO[4,5-D][1,3]DIOXOLE-7,1'-ISOQUINOLIN]-8-OL; (1R,8'S)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol; MolPort-005-945-964; AC1LD0NJ; Dihydroparfumidine; QDNMFIYGVRUVCE-UHFFFAOYSA-N; 6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; ACon1_001324; fumaricine; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, (7S-trans)- | C21H23NO5 | 369.411 | C([H])([H])([H])Oc1c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]23C([H])([H])c(c([H])c([H])c(OC([H])([H])O4)c45)c5[C@@]2(O[H])[H])c3c([H])c1OC([H])([H])[H] |
| TCMBANKIN042120 | Rehmaglutin A | BDBM50429449; 103744-82-7; rehmaglutin a; CHEMBL2332356 | C9H14O5 | 202.2 g/mol | C1COC2C3C1C(C(C3(CO2)O)O)O |
| TCMBANKIN042318 | Rehmannioside A | 81720-05-0; (2S,3R,4S,5S,6R)-2-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}-6-({[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)OXANE-3,4,5-TRIOL; 720R050; rehmannioside a; CHEMBL3810015; BG01185770; Ambotz81720-05-0; ZINC85531912 | C21H32O15 | 524.5 g/mol | C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O |
| TCMBANKIN044210 | Luteolin-7-rutinoside | 594.5 g/mol | |||
| TCMBANKIN046167 | Rehmannioside B | rehmannioside b | C27H42O20 | 687 | [C@@]12([H])[C@@]([H])([C@](C([H])([H])O[H])(O3)[C@@]3([H])[C@@]1([H])O[C@@]4([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]([H])(O[C@@]5([H])O[C@@]([H])(C([H])([H] )O[C@@]6([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])OC([H])=C2[H] |
| TCMBANKIN046828 | 6-c-arabinopyranosyl-8-c-glucopyranosyl-5,7-dihydroxyflavone | C26H28O13 | C1C(C(C(C(O1)C2=C(C3=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)OC(=CC3=O)C5=CC=CC=C5)O)O)O)O | ||
| TCMBANKIN047334 | rehmannioside C | rehmannioside c; (2R,3R,4S,5R,6R)-2-[[(1S,4aR,5R,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; AC1O3DVK | C21H34O14 | 510.49 | CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| 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] |
| TCMBANKIN049200 | Dimethyl tetrasulfide | 85931-55-1; Tetrasulfide, dimethyl; 5756-24-1; methyldisulfanyldisulfanylmethane; EINECS 227-278-8; Dimethyl tetrasulphide; dimethyl tetrasulfide | C2H6S4 | 158.33 | CSSSSC |
| TCMBANKIN057915 | FUM | U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid | C4H4O4 | 116.07 | C(=CC(=O)O)C(=O)O |
| TCMBANKIN057917 | OXL | ethane-1,2-dioic acid; CHEBI:16995; CCRIS 1454; EPA Pesticide Chemical Code 009601; Oxaalzuur; Caswell No. 625; Oxalic acid standard solution; NSC115893 (DILITHIUM); 35295_RIEDEL; AI3-26463; 68487_FLUKA; Oxalic acid (8CI); LMFA01170031; Ethanedioic acid (9CI); 553-91-3 (DILITHIUM); Ethandisaeure; 2847-15-6; Acide oxalique; 38250_RIEDEL; C00209; Ultraplast Activate S 52; ethanedioic acid; NSC 62774; Acide oxalique [French]; NCIOpen2_001042; InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6; Oxalsaeure [German]; OXD; NCI-C55209; BRN 0385686; Oxalate standard for IC; 04621_FLUKA; Oxalsaeure; HSDB 1100; Acidum oxalicum; NCIOpen2_008831; 34287_RIEDEL; Kyselina stavelova; Acido ossalico; Aktisal; NCIOpen2_001202; AIDS-071020; Acido ossalico [Italian]; WLN: QVVQ; oxalic acid; 319201_ALDRICH; 216451-38-6; 658537_ALDRICH; 4-02-00-01819 (Beilstein Handbook Reference); 38255_RIEDEL; NCIOpen2_001022; EINECS 205-634-3; Kyselina stavelova [Czech]; Oxagel; AIDS071020; NSC62774; NCIOpen2_000770; 194131_ALDRICH; Aquisal; 241172_ALDRICH; 34285_RIEDEL; 35294_RIEDEL; Oxiric acid; 63504-28-9; 144-62-7; 75688_FLUKA; Oxalic acid solution; 97993-78-7; HOOCCOOH; Oxaalzuur [Dutch]; Ethanedionic acid; H2ox;oxalic acid;oxalicacid | C2H2O4 | 90.03 g/mol | C(=O)(C(=O)O)O |
| TCMBANKIN057930 | D-Cystine | L-Dicysteine; CHEBI:16283; Cystine,d; C7602_SIGMA; Cystine D-form; C8755_SIGMA; Cystine, D-; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid; Cystine (USAN); 56-89-3; (R,R)-3,3'-dithiobis(2-aminopropanoic acid); 3,3'-Dithiobis-L-alanine; Gelucystine; 349-46-2; L-Cystine (9CI); bis(beta-amino-beta-carboxyethyl) disulfide; L-alpha-Diamino-beta-dithiolactic acid; C5735_SIGMA; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxopropyl]disulfanylpropanoic acid; D03636; EINECS 206-486-2; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]disulfanyl-propanoic acid; 30199_FLUKA; Cystine, L- (8CI); (2R,2'R)-3,3'-disulfanediylbis(2-aminopropanoic acid); NCGC00166006-01; (R,R)-3,3'-Dithiobis(2-aminopropionicacid); C00491; (2R)-2-amino-3-[(2R)-2-amino-3-hydroxy-3-keto-propyl]disulfanyl-propionic acid;cystine | C6H12N2O4S2 | 240.3 | C(C(C(=O)O)N)SSCC(C(=O)O)N |
| TCMBANKIN057935 | D-sedoheptulose | (3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one; CHEBI:16802; D-Altro-2-heptulose; D-altro-hept-2-ulose;l-galactoheptulose;d-mannoheptulose;Sedoheptulose; (3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one; D-Sedoheptulose, >=95% (TLC); ZINC8579422; altro-Heptulose; 40A0W1XJ6X; UNII-40A0W1XJ6X; AC1NUSHL; SCHEMBL119427; CHEBI:16802; D-altro-hept-2-ulose; D-Altro-2-heptulose; 3019-74-7;L-Galactoheptulos; D-Sedoheptulose, >=95% (TLC); ZINC8579422; altro-Heptulose; 40A0W1XJ6X; UNII-40A0W1XJ6X; D-Mannoheptulose; AC1NUSHL; SCHEMBL119427; CHEBI:16802; D-altro-hept-2-ulose; D-Altro-2-heptulose; 3019-74-7 | C7H14O7 | 210.18 g/mol | C(C(C(C(C(C(=O)CO)O)O)O)O)O |
| TCMBANKIN057937 | galactitol | meso-galactitol;18089-21-9; EINECS 210-165-2; CHEBI:16813; D0256_SIGMA; NSC 1944; ZINC04521466; (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol; 40742-76-5; ZINC02034453; AI3-19423;C01507; C-25615; Sorbo; I0725; I14-60913; KB-53227; CTK8B4049; L-Iditol, >=98%; FBPFZTCFMRRESA-UNTFVMJOSA-N; AC1NUSPZ; DB-051581; 488-45-9; ANW-43765; CHEBI:18202; MolPort-003-848-134; L-Iditol; CC-29952; AKOS024258141; FT-0627851; K-9194; KS-00000XZK; WURCS=1.0/1,0/[h2121h]; SCHEMBL435775; ZINC5178945; W-202860; (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; L-Idit; MFCD00064289;dulcitol | C6H14O6 | 182.17 g/mol | C(C(C(C(C(CO)O)O)O)O)O |
| TCMBANKIN057939 | ribitol | AKOS015915193; SCHEMBL15318; meso-xylitol; (2R,3r,4S)-pentane-1,2,3,4,5-pentol; MolPort-044-875-282; D-Xylitol; s4546; UNII-YFV05Y57M9 component HEBKCHPVOIAQTA-SCDXWVJYSA-N; 84709-28-4; BRN 1720524; Wood sugar alcohol; Xylitol, Pharmaceutical Secondary Standard; Certified Reference Material; HY-100582; Ribitol (Adonitol); AKOS015903403; Adonitol, BioXtra, >=99.0% (HPLC); 127873-EP2377841A1; Adonito; 87849-01-2; Xylitol [USAN]; 353ZQ9TVDA; bmse000129; Xylitol, Vetec(TM) reagent grade, >=99%; Xylitol, European Pharmacopoeia (EP) Reference Standard; Pentitot; N1725; HEBKCHPVOIAQTA-ZXFHETKHSA-N; Xylitol, United States Pharmacopeia (USP) Reference Standard; NSC 25283; Klinit; 1,2,3,4,5-Pentahydroxypentane; 1,2,3,4,5-PentahydroxypentaneXylite; bmse000886; Kylit; 75398-81-1; Xylitab 100; Xylitab DC; MolPort-003-934-322; DB01904; HEBKCHPVOIAQTA-NGQZWQHPSA-N; 2088-EP2377849A2; ZINC100018612; CS-2987; 7313-55-5; 4-01-00-02832 (Beilstein Handbook Reference); Tox21_201056; Adonitol, BioReagent, suitable for cell culture; Adonitrot; UNII-YFV05Y57M9 component HEBKCHPVOIAQTA-ZXFHETKHSA-N; Xylisorb 700; Adonitot; (2R,3S,4S)-Pentane-1,2,3,4,5-pentaol; LS-162656; DSSTox_RID_80046; DS-11416; BG01499408; 2088-EP2311842A2; 2088-EP2314584A1; I14-19011; DTXSID7042514; Epitope ID:114703; CHEBI:15963; SCHEMBL4250; xylitol; L-xylitol; Epitope ID:114702; 6684F574-C267-40CB-8828-12F2550E58D0; CHEBI:17151; 127873-EP2275398A1; 2088-EP2292612A2; FT-0631414; NCGC00165982-01; EINECS 201-788-0; WURCS=1.0/1,0/[h111h]; Fluorette; EC 201-788-0; 1,2,3,4,5-Pentanot; 2088-EP2292234A1; HY-N0538; A0171; HEBKCHPVOIAQTA-SCDXWVJYSA-N; (2S,4R)-pentane-1,2,3,4,5-pentol; I14-7373; ST50411707; Xylitol, >=99%; D-ribitol; QSPL 191; Xylitab 300; MolPort-003-895-940; K573; 127873-EP2374783A1; (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol; (2S,4R)pentane-1,2,3,4,5-pentaol; C00379; 127873-EP2295402A2; Xylitol, analytical standard; K-9195; 87-99-0; (2R,3s,4S)-Pentane-1,2,3,4,5-pentot; Xylite; MFCD00064291; (2R,3s,4S)-pentane-1,2,3,4,5-pentol; 2088-EP2371811A2; (2R,4S)-pentane-1,2,3,4,5-pentol; SCHEMBL1924966; Xyliton; UNII-VCQ006KQ1E; Ribitol (6CI,8CI,9CI); CHEMBL3137744; 12426-00-5; WURCS=1.0/1,0/[h121h]; 2088-EP2272822A1; BRN 1720523; 5DCF4F57-E023-469A-B4F3-91E8349A6705; Xylite (sugar); 488-81-3; L-ribitol; HSDB 7967; MLS002695898; Eutrit; AC1L1NKP; RB0; bmse000062; Adonit; s2612; 2088-EP2301938A1; I14-19012; C00474; Adonitol (7CI); Xylisorb 300; CS-6043; adonitol; 84709-42-2; 1,2,3,4,5-pentanepentol; Xylitol [INN:BAN:JAN:NF]; KS-00000Y00; Ribitol, Adonite, 488-81-3; AC1Q59QK; NCGC00258609-01; DSSTox_GSID_42514; UNII-353ZQ9TVDA; CHEMBL96783; AK307743; Xylit; ZINC100014205; C5H12O5; 2088-EP2305254A1; X-7000; ZINC18068098; 37191-59-6; AK307317; Adonitol, >=99%; Adonite; MFCD00064292; CHEMBL1865120; NSC 16868; EINECS 207-685-7; meso-ribitol; 2088-EP2284162A2; DSSTox_CID_22514; 1,2,3,4,5-Pentanepentot; VCQ006KQ1E; 16277-71-7; 2088-EP2284163A2; D-Adonitol; E967; Xylitol C; Newtol; Kannit; ribitol; CCG-214167; FT-0656634; xylo-Pentitol; 2088-EP2275417A2; Xylisorb; NCGC00165982-02; CAS-87-99-0; SMR001562099; Adonitt; 28296-13-1;Xylitol;Adonitol | C5H12O5 | 152.15 g/mol | C(C(C(C(CO)O)O)O)O |
| TCMBANKIN058025 | styrene | 105270-05-1; cinnamene; phenyl-ethylene; 61584-90-5; C19506; PPBRXRYQALVLMV-UHFFFAOYSA-N; 81415_FLUKA; 5487-EP2277945A1; MFCD00084450; CJ-04646; 52932-49-7; Benzene, ethenyl-, homopolymer; 20215_SUPELCO; Polystyrene, atactic; InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H; S4972_SIAL; 81413_FLUKA; 51609-87-1; Styrene, analytical standard; AKOS000119972; Polystyrene standard, M.W. 1,300, Mw/Mn 1.06; 182435_ALDRICH; viny lbenzol; Chromosorb 102,100/120 50G; S0651; 9055-91-8; Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water; 189596_ALDRICH; 61584-89-2; 37291-EP2311803A1; Polysorb; 379514_ALDRICH; 00945_FLUKA; 79637-11-9; 5487-EP2269995A1; 5487-EP2295426A1; Cinnamene; 172641-48-4; 730985-59-8; NCGC00091056-01; 5487-EP2309584A1; CCRIS 564; 81406_FLUKA; AI3-24374; 81412_FLUKA; 117294-EP2287158A1; 78354-47-9; 1191987-17-3; 110866-50-7; W323306_ALDRICH; Benzene, ethenyl-, homopolymer, hydrogenated; Polystyrene standard, M.W. 2,200, Mw/Mn 1.06; UN 2055 (Salt/Mix); 149212-19-1; 100-42-5; Vinylbenzene, inhibited; Cinnamenol; 1263545-74-9; 5487-EP2305686A1; Styrene 5000 ng/microl in Methanol; Ethenylbenzene; 373601-20-8; Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water; Phenethylene; FT-0689054; Polystyrene standard, M.W. 13,000, Mw/Mn 1.06; Styrene, SAJ first grade, >=99.0%; Styrol [German]; Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water; 58033-91-3; Styren; CHEBI:27452; MALDI validation set polystyrene Mp 500-70'000 certified according to DIN; 5487-EP2295415A1; Styrene Resin (Med.M.Wt.); Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water; 327808_ALDRICH; Chromosorb 106, 60/80 MESH, 50GM; 171022-09-6; Styrene polymer; 461733_ALDRICH; 03565_FLUKA; Styren [Czech]; 851588-70-0; NCGC00091056-03; Polystyrene standard, M.W. 30,000, Mw/Mn 1.06; DTXSID2021284; 00928_FLUKA; 5487-EP2298313A1; Polystyrene high Mol. Wt.; 40494-15-3; 5487-EP2275418A1; Styropor (Salt/Mix); RP18837; 55465-00-4; 5487-EP2287168A2; 12770-88-6; 81418_FLUKA; Styrene, 99.5% stab. with 4-tert-Butylcatechol; 81402_FLUKA; 131495-39-1; 5487-EP2270113A1; 11120-46-0; KSC176E4F; 81834-12-0; Polystyrene (100-200 mesh, PEG crosslinked); PhCH=CH2; Styropol (Salt/Mix); 327794_ALDRICH; Styrene 100 microg/mL in Methanol; Vinylbenzol; Styropol SO; Phenylethene; Vinylbenzen [Dutch]; 459364_ALDRICH; NSC-62785; Benzene, ethenyl-; Styron; Cinnaminol; 5487-EP2289883A1; Styrene solution; CHEMBL285235; 1161074-30-1; Chromosorb 103; Stirolo [Italian]; Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-; 53112-49-5; 5487-EP2289896A1; EINECS 273-493-5; Tox21_200808; Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water; 81407_FLUKA; 5487-EP2305685A1; Styrene monomer, inhibited; Vinyl benzene; 157929-02-7; Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water; 54596-41-7; 20202_SUPELCO; Ethylene, phenyl-; 5487-EP2280014A2; Styrene, 99%, stabilized 100ml; 5487-EP2380568A1; NCGC00091056-02; 00953_FLUKA; 1083095-63-9; W550159_ALDRICH; Polystyrene solution; Annamene; Chromosorb 101; 25038-60-2; 2-phenylethenyl; Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water; 00949_FLUKA; Polystyrene standard, M.W. 290,000, Mw/Mn 1.06; 68987-41-7; Ethylbenzene alkylate; 143365-EP2292620A2; Styreen; 86090-91-7; 327719_ALDRICH; 219782-52-2; 441772-62-9; 53986-84-8; 5487-EP2380867A1; 487021-46-5; 359762-95-1; Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water; KB-60631; 117294-EP2298762A2; 25086-18-4; 53395_FLUKA; 00946_FLUKA; 57657-06-4; 726192-11-6; Tox21_113245; 5487-EP2301924A1; NSC 62785; BIDD:ER0247; 39470-87-6; 143365-EP2287165A2; Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water; DSSTox_RID_76057; Phenylethylene, inhibited; 327824_ALDRICH; EC 202-851-5; 1198090-46-8; AC1Q2AAB; Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water; 5487-EP2311804A2; Polystyrene,flame retarding and impact resistant; 5487-EP2308832A1; 51876_FLUKA; 68441-35-0; Vinyl-benzene; 60880-98-0; DSSTox_CID_1284; 9044-64-8; Polystyrene standard, M.W. 5,200, Mw/Mn 1.06; STYRENE; NCGC00258362-01; Vinylbenzene; 23065-05-6; 644984-36-1; Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30; NCI-C02200; 143365-EP2287166A2; c0115; Bulstren K-525-19; 471865-10-8; Polystyrene standard, M.W. 25,000, Mw/Mn 1.06; Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water; Ethylenated benzene; 54578-24-4; 459410_ALDRICH; Polystyrene standard, M.W. 170,000, Mw/Mn 1.06; 81416_FLUKA; 00952_FLUKA; 00948_FLUKA; 8053AF; 00947_FLUKA; 327743_ALDRICH; Ethenylbenzene, 9CI; Polystyrene med Mol. Wt.; S0095; AN-24550; 5487-EP2311798A1; Styrene polymer-bound; 81401_FLUKA; 5487-EP2314577A1; 124229-31-8; CTK0H6242; Phenylethylene; Polystyrene latex microsphere, 1 micron, dry form; 459402_ALDRICH; Polystrene Standard broad 350'000; 20225_SUPELCO; Styron (Salt/Mix); Polystyrene standard, M.W. 4,000, Mw/Mn 1.06; 81409_FLUKA; 00926_FLUKA; 55128-06-8; Vinyl-polystyrene; Vinylbenzen [Czech]; 00951_FLUKA; 260975-79-9; 98444-30-5; Styrene monomer; Styrolene; 852837-17-3; ZB015538; Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water; 5487-EP2284165A1; 120037-99-2; FEMA Number 3234; Diarex hf 77; MCULE-4715354738; 5487-EP2311796A1; 182427_ALDRICH; 172867-64-0; 441147_ALDRICH; 161776-45-0; Styrene monomer, inhibited [UN2055] [Flammable liquid]; 45993_RIEDEL; 327786_ALDRICH; KS-00000VQV; 459372_ALDRICH; 327816_ALDRICH; Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water; Styreen [Dutch]; 81417_FLUKA; Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water; Styrene (monomer); Polystyrene standard, M.W. 123,000, Mw/Mn 1.08; 5487-EP2272849A1; Polystyrene standard, M.W. 900,000, Mw/Mn 1.10; 81403_FLUKA; TRA0031624; Polystyrene standard, M.W. 65,000, Mw/Mn 1.06; 5487-EP2298743A1; 155197-45-8; 63849-49-0; NCGC00091056-04; 81411_FLUKA; 81404_FLUKA; Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1g; 5487-EP2272832A1; Polystyrene standard, M.W. 3,350, Mw/Mn 1.10; 459461_ALDRICH; 360046-70-4; ZINC112958499; I01-4405; 9003-53-6; 47745U_SUPELCO; Benzene, ethylenated; Styrol (German); Diarex hf 77 (Salt/Mix); 5487-EP2295438A1; ethenyl-benzene; 117294-EP2275408A1; Polystyrene, minimum number average molecular weight (in amu), 50,000; 37291-EP2311802A1; Polystyrene standard, M.W. 400,000, Mw/Mn 1.06; 20217_SUPELCO; 5487-EP2308857A1; 40257U_SUPELCO; 12627-11-1; UNII-44LJ2U959V; ANW-14280; ZINC968269; 1160710-79-1; C07083; Styrene solution, certified reference material, 200 mug/mL in methanol; 1227265-55-5; 53397_FLUKA; 330353_ALDRICH; 171022-02-9; POLYSTYRENE; Styrol; 459399_ALDRICH; Styrole; Stirolo; Polystrene Standard 88'000; Polystrene Standard broad 206'000; HSDB 171; Chromosorb 106; 327778_ALDRICH; Styropor; RT-000109; 327751_ALDRICH; 5487-EP2292593A2; LS-304; 459380_ALDRICH; 5487-EP2270101A1; 5487-EP2311797A1; 81419_FLUKA; 44LJ2U959V; 5487-EP2314579A1; 5487-EP2298753A1; p-vinyl benzene; 327727_ALDRICH; CAS-100-42-5; A800199; 60328-46-3; AC1L1OWJ; FT-0659991; 5487-EP2311799A1; NSC62785; 81410_FLUKA; MolPort-001-779-766; EINECS 202-851-5; Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water; Polystyrene standard, M.W. 2,000, Mw/Mn 1.10; FEMA No. 3233; 459356_ALDRICH; BP-13451; 56451-72-0; 81414_FLUKA; Styrene, >=99%; 81408_FLUKA; Cinnamol; Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water; Styrene monomer, inhibited [UN2055] [Flammable liquid]; Styropol; 00954_FLUKA; Z966690906; Polystyrene standard, M.W. 50,000, Mw/Mn 1.06; Benzene-d5, ethenyl-d3-; STL283958; 137262-45-4; 331651_ALDRICH; 450383_ALDRICH; 120534-26-1; CARINE; Chromosorb 103,80/100,50G; 5487-EP2305668A1; Benzene, vinyl-; 144637-93-4; 5487-EP2308865A1; 56748-62-0; 5487-EP2295427A1; 124229-48-7; 330345_ALDRICH; MFCD00008612; WLN: 1U1R; NCGC00091056-05; 5487-EP2272935A1; 60120-16-3; 1187742-34-2; Styrene, ReagentPlus(R), 99.9%; UN2055; Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water; Chromosorb 102; Vinylbenzen; DSSTox_GSID_21284; F1908-0130; 157243-21-5; 430102_ALDRICH; Styrene; 5487-EP2295420A1; Polystyrene, hydrogenated; Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%; Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water; Polystyrene standard, M.W. 650,000, Mw/Mn 1.06; Styrene-divinylbenzene Copolymer; SC-75569; 48347_SUPELCO | C8H8 | 104.15 g/mol | C=CC1=CC=CC=C1 |
| TCMBANKIN058038 | allylglucosinolate | SINIGRIN_qt | C10H16KNO9S2 | 397.5 g/mol | C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+] |
| TCMBANKIN058046 | allyl isothiocyanate | Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; allylisothiocyanate; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; allyl isothiocyanate; ATC; AITC; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; Volatile oil of mustard; mustard oil; Redskin; DTXSID3020047; Fats and Glyceridic oils, mustard; 3ZT10W4376; (T)ALLYL ISOTHIOCYANATE; Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized; Artificial oil of mustard; NSC 5572; Allyspol 75EC; Tox21_111165; ol eum sinapis volatile; Allylsenfoel; BBL027483; Oil of mustard; Allyl sevenolum; Senf oel; Tox21_202249; Mustard, brown (Brassica spp.); EINECS 232-358-0; EPA Pesticide Chemical Code 004901; DSSTox_CID_47; Allyl isothiocyanate, contains BHT as stabilizer, 95%; Oleum sinapis; 1058737-73-7; WLN: SCN2U1; Mustard oil, volatile; Mustard oil (VAN); AC1L1LIX; Isothiocyanic acid allyl ester; Essential oils, mustard; BN34FX42G3; Oil Of mustard; Allyl isothiocyanate, stabilized; Allyl isosulphocyanate; Mustardseed Oil; Tox21_302890; BP-12926; MFCD00004822; HMS3264D06; D02818; NSC760137; CHEMBL233248; FEMA No. 2034; 8007-40-7; Allyl isothiocyanate [USAN]; CTK1G9557; ZINC1687017; 50978-48-8; Brassica seed oil; 1957/6/7; Oil of mustard, expressed; ST51046777; CCG-213613; SBB060631; Allylisothiokyanat [Czech]; CCRIS 20; NCGC00091743-01; NCGC00256536-01; Allylsevenolum; Oils, brassica nigra; Allyl thioisocyanate; DSSTox_RID_75336; 3-isothiocyanatopropene; BDBM50203072; RL04154; NCGC00091743-02; 2-Propenyl isothiocyanate; UNII-BN34FX42G3; Caswell No. 027; Allyl mustard oil; CHEBI:73224; Allyl isothiocyanate, 97%; ZINC01687017; Allyl isothiocyanate (USP); Allyl isothiocyanate [USAN:USP]; I0185; prop-2-enisothiocyanate; Oil of mustard, artificial; Allyl isothiocyanate, stabilized [UN1545] [Poison]; 107231-30-1; Allyl isothiocyanate, >=95%, FCC; ALLYL ISOTHIOCYANATE; 58391-87-0; Allylsenevol; BRN 0773748; Isothiocyanate d'allyle; TR-019960; NSC-760137; 3-isothiocyanatopropene, 2-propenyl isothiocyanate, mustard oil, allyl isorhodanide, allyl mustard oil, synthetic mustard oil, allylsenevol, redskin, volatile oil of mustard; Volatile mustard oil; Isothiocyanate d'allyle [French]; 5832AE; Oils, brassica alba; J-512735; Allylisothiokyanat; DB-022435; Senf oel [German]; FEMA Number 2034; Mustard, yellow (Brassica spp.); Allyl isothiocyanate, non-perfume grade; GTPL2420; LS-1387; 3-isothiocyanatoprop-1-ene; FT-0622027; Mustard oil; allyl isorhodanide; AC1Q2ABE; UN1545; Mustard essential oils; AITK; Allyl isothiocyanate non-perfume grade; Potassium, (1-isothiocyanato-2-propenyl)-; NCI-C50464; NSC5572; C19317; Allyl isothiocyanate, stabilized [UN1545] [Poison]; Oils, essential, mustard; Senfoel; Y-9048; Allyl isosulfocyanate; F9995-1653; FT-0622004; 3-iso-Thiocyanatoprop-1-ene; Oleum sinapis volatile; 377430_ALDRICH; Allyl isothiocyanate (natural); LS-3207; 3-isothiocyanato-prop-1-ene; Potassium allyl isothiocyanate; UNII-3ZT10W4376; 3-Isothiocyanato-1-propene; Oils, glyceridic, mustard; EINECS 200-309-2; AITC; allyl thiocarbonimide; InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H; Carbospol; BB_SC-6433; Propene, 3-isothiocyanato-; 4-04-00-01081 (Beilstein Handbook Reference); allyl-iso-thiocyanate; Mustard oil, volatile, synthetic; Mustard Oil (Synthetic); D0BQ8Y; ZOJBYZNEUISWFT-UHFFFAOYSA-N; Artificial mustard oil; Isothiocyanic acid, allyl ester; MUSTARD OIL; I09-0185; 1-Propene, 3-isothiocyanato-; Oil of mustard BPC 1949; Allyl isothiocyanate, purum, >=98% (GC); W203408_ALDRICH; MolPort-001-769-093; CAS-57-06-7; AC1Q2A9Q; AN-23573; Mustard seed oil; Isothiocyansaeureallylester; FEMA No. 2761; AI3-15283; ISOTHIOCYANIC ACID,ALLYL ESTER; NSC-5572; KB-47208; NCGC00259798-01; FEMA No. 2760; MCULE-3404572895; 06019_FLUKA; AB01563144_01; Allylsenfoel [German]; 50888-64-7; ALLYLISOTHIOCYANATE; Allyspol; Oils, mustard; Allyl isothiocyanate, inhibited; Pharmakon1600-01506103; 57-06-7; Isothiocyanato-1-propene; Synthetic mustard oil; HSDB 617; 36682_RIEDEL; Propenyl isothiocyanate; AKOS000119301; DSSTox_GSID_20047; allylimino-thioxo-methane; Volatile oil of mustard | C4H5NS | 99.16 g/mol | C=CCN=C=S |
| TCMBANKIN058094 | 5-HMF | 5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) | C6H6O3 | 126.11 g/mol | C1=C(OC(=C1)C=O)CO |
| TCMBANKIN058153 | Fustin | 20725-03-5; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-one; 2,3-Dihydrofisetin; C01378; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-4-one; fustin; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-chromanone; trans-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4-benzopyrone; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-4-one; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, trans- (9CI); EINECS 243-989-6; NSC 59264; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-chromanone; (+)-fustin;Flavanone, 3,3',4',7-tetrahydroxy- (VAN) (8CI) | C15H12O6 | 288.25 g/mol | C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O |
| TCMBANKIN058252 | tyramine | AIDS018687; 4-(2-aminoethyl)phenol; p-.beta.-Aminoethylphenol; NINDS_000918; Spectrum2_000738; Spectrum3_000693; Phenol, p-(2-aminoethyl)-; HSDB 2132; tyraminium cation; to_000085; 2-(4-hydroxyphenyl)ethylammonium; Tenosin-Wirkstoff; tyraminium(1+); Spectrum5_000501; Lopac-T-2879; 4-Hydroxyphenethylamine; NSC249188; InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H; BSPBio_002445; SMR000059295; Oprea1_294339; SGCUT00017; AC1NRWHX; KBio2_004261; Uteramine; BB_NC-1362; 2-(4-hydroxyphenyl)ethylazanium; 2-(4-Hydroxyphenyl)ethylamine; SPBio_000696; 3bra; Phenethylamine, p-hydroxy-; Spectrum4_001801; NCGC00063825-05; BRN 1099914; 4-Hydroxy-.beta.-phenylethylamine; 4-Hydroxyphenethylamine ((tyramine); 2-(p-Hydroxyphenyl)ethylamine; 93810_FLUKA; KBio1_000918; 51-67-2 (FREE BASE); NSC 249188; NCGC00063825-04; p-Hydroxy-.beta.-phenethylamine; NCGC00016011-01; 59880-97-6 (HCL); BPBio1_001394; ZB000512; 4-(2-Aminoethyl)phenol; KBioSS_001693; p-Hydroxyphenylethylamine; DivK1c_000918; p-Hydroxyphenethylamine; p-beta-Aminoethylphenol; NCGC00063825-07; .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane; IDI1_000918; Benzeneethanamine, 4-hydroxy-; tyraminium; WLN: Z2R DQ; beta-Hydroxyphenylethylamine; A828724; alpha-(4-Hydroxyphenyl)-beta-aminoethane; KBio2_001693; KBio3_001665; p-Tyramine; 4-Hydroxyphenylethylamine; T90344_ALDRICH; Tocosine; KBio2_006829; MLS000079096; Phenol, 4-(2-aminoethyl)-; EINECS 200-115-8; BDBM50067723; 2-(4-hydroxyphenyl)ethanaminium; Tyrosamine; .beta.-(4-Hydroxyphenyl)ethylamine; C00483; Biomol-NT_000075; Tyramine; Systogene; 4-13-00-01788 (Beilstein Handbook Reference); p-(2-Aminoethyl)phenol; 51-67-2; 2-(4-Hydroxy-phenyl)-ethyl-ammonium; Spectrum_001213; Lopac0_001136; NCGC00063825-08; CJ-00085; CHEBI:15760; CHEBI:327995; KBioGR_002405; SPECTRUM210400; LS-189905; (4-hydroxyphenethyl)ammonium; AIDS-018687; Tyramin; 4-Hydroxyphenethylaminium | C8H11NO | 137.18 | C1=CC(=CC=C1CCN)O |
| TCMBANKIN058255 | Tyrosol | NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol | C8H10O2 | 138.16 g/mol | C1=CC(=CC=C1CCO)O |
| TCMBANKIN058260 | sulfanilicacid | BR-53425; 22484-64-6 (zinc[2:1] salt); TR-034638; 121-57-3; NCGC00090886-02; AN-22849; 4-Sulfanilic acid; Nizin; I05-0157; CHEBI:27500; BC204845; Benzenesulfonic acid, 4-amino-; Sulfanilic acid, United States Pharmacopeia (USP) Reference Standard; 4-Aminobenzenesulfonic acid; SBB028140; Sulfanilic acid, JIS special grade, 99.0-100.5%; AS01575; AC1L1R31; 4-aminobenzene-sulfonic acid; 4-aminobenzene-1-sulfonic acid; Sulfanilic acid, ACS reagent, 99%; EINECS 204-482-5; Sulphanilic acid; p-Aminophenylsulfonic acid; 4-Aminobenzenesulfonic acid; Aniline-4-sulfonic acid; 4-aminophenylsulfonic acid; Sulfanilsaeure; ACMC-1BOZB; ST4084010; M-6005; AB1003505; SULFANILIC ACID TS; 856062-06-1; 434Z8C2635; Benzenesulphonic acid, 4-amino-; Sulfanilic acid, 99%; BBL011603; ANILINE P-SULFONIC ACID; Kyselina sulfanilova [Czech]; Epitope ID:122241; ANW-17754; InChI=1/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10; KS-00000V3R; SULFANILIC ACID, ACS; Nitrate Reagent B, for microbiology; Sulfanilic Acid Anhydrous; 1-aminobenzene-4-sulfonic acid; NSC 7170; ZINC1530397; EC 204-482-5; Sulfanilate Zinc (sulfanilic acid); C06335; 4-Aminobenzenesulphonic Acid (Sulphanilic Acid); Kyselina sulfanilova; RP23551; H459; SC-26832; AC1Q51Y7; PubChem20323; KSC175E5L; 28029-EP2314588A1; BDBM50443531; 515-74-2 (hydrochloride salt); Aniline-4-sulfonic acid; Sulfanilic acid, >=99.0%; p-aminobenzene sulfonic acid; Aniline-p-sulfonic acid; UNII-434Z8C2635; SULFANILLIC ACID; LS-650; p-sulphanilic acid; KB-36490; A3126/0132260; SUFANILIC ACID; ST2411105; J-004536; NSC7170; SCHEMBL24407; Aniline-p-sulphonic acid; 4-amino-1-benzenesulfonic acid; P-ANILINE SULFONIC ACID; NSC-7170; NITRATE REAGENT B; p-Anilinesulfonic acid; P-SULFANILIC ACID; sulfanilic acid; CHEMBL1566888; NCGC00090886-01; Sulfanilic acid, 99.0-100.5%, suitable for determination of nitroxide; UKRORGSYN-BB BBR-006490; AC-12565; Sulfanilic acid, Vetec(TM) reagent grade, 99%; BG00601609; CTK0H5255; 4-Sulfoaniline; MolPort-001-783-839; HVBSAKJJOYLTQU-UHFFFAOYSA-N; bmse000726; p-aminobenzenesulphonic acid; Sulfanilsaeure [German]; AI3-15414; 4-Amino-benzenesulfonic acid; LABOTEST-BB LTBB002174; AM91128; AC1Q6WPM; Sulfanilic acid;; MCULE-9573132621; DTXSID6024464; 28029-EP2311809A1; S0120; p-Aminobenzenesulfonic acid; Sulfanilic acid, p.a., 98.0-102.0%; TRA0084520; MFCD00007886; Sulfanilic acid, 98% 250g; aniline-4-sulphonic acid; CCRIS 4576; 4-AMINOBENZENESULPHONIC ACID; TIMTEC-BB SBB028140; STK661383; 4-ANILINESULFONIC ACID; HSDB 5590; 4-Amino benzenesulphonic acid; BB_SC-7049; RTR-034638; SULFANILATE ZINC; AJ-26659; SULFANILIC ACID; Sulfanilic acid, puriss. p.a., >=99.0% (T); AK-53425; Sulfanilic Acid, Pharmaceutical Secondary Standard; Certified Reference Material; F0001-0346; AKOS000118732;Sulfanilsaeure;InChI=1/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10; AIDS020178; S5263_SIGMA; p-Aminobenzenesulfonic acid; A3126/0132260; 121-57-3; 86090_FLUKA; NCGC00090886-02; 4-Sulfanilic acid; Sulfanilic acid; NSC7170; NSC 7170; Aniline-p-sulphonic acid; CHEBI:27500; Benzenesulfonic acid, 4-amino-; 4-Aminobenzenesulfonic acid; CCRIS 4576; EINECS 204-482-5; HSDB 5590; p-Aminophenylsulfonic acid; Sulphanilic acid; NCGC00090886-01; C06335; AIDS-020178; Sulfanilsaeure [German]; AI3-15414; 251917_SIAL; Aniline-4-sulfonic acid; Kyselina sulfanilova [Czech]; Aniline-p-sulfonic acid | C6H7NO3S | 173.19 g/mol | C1=CC(=CC=C1N)S(=O)(=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 |
| 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 |
| TCMBANKIN058351 | phenethyl alcohol | 12472-EP2311801A1; CHEBI:49000; .beta.-Fenylethanol; ACMC-1AZIH; HMS2093H05; ML9LGA7468; Phenylethyl alcohol; Q-200318; Methanol, benzyl-; BC213746; b-pea; Mellol; NSC 406252; DSSTox_CID_6342; SC-46713; CAS_60-12-8; 47427-EP2374783A1; 196135-EP2277872A1; 66877-EP2298772A1; beta-Phenylethyl alcohol; 1321-27-3; AC1Q1HG6; SR-01000763553-2; phenyl-ethanol; KB-59529; .beta.-Fenethylalkohol; .beta.-Hydroxyethylbenzene; DSSTox_GSID_26342; beta-Phenylethanol; AC-18484; 47427-EP2308877A1; 66877-EP2270505A1; AKOS000249688; NCGC00257347-01; ANW-13578; SCHEMBL1838; Benzeneethanol; Phenethyl alcohol; FEMA 2858; I01-4509; .beta.-Phenylethanol; NSC-759116; 2-PHENYLETHANOL; LS-2335; AK-59815; Z234896351; 2-Phenylethanol, 98% 250g; BDBM85807; Benzyl carbinol; 2-PEA; benzene-ethanol; Benzenethanol; 12472-EP2316826A1; 2-PhenyIethanol; Phenethylalcohol; 66877-EP2292612A2; AB00698274_05; AC1L1LP9; Phenylethyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; 37330-EP2284157A1; Phenyl ethyl alcohol; 2-phenyl-1-ethanol; AN-23631; .beta.-PEA; FT-0613332; 2-phenyl ethanol; NCGC00166215-03; AC1Q7CJQ; Phenethyl alcohol, 8CI, BAN; MLS001066349; .beta.-Phenethanol; 0DE4CADC-AB8A-4038-BD6F-EBD009885652; DB02192; beta-Fenylethanol; NSC-406252; RTR-037232; 66877-EP2295406A1; HMS2233H06; NCGC00258874-01; EC 200-456-2; Pharmakon1600-01505398; S992; NCGC00166215-01; SR-01000763553; .beta.-Phenylethyl alcohol; NE10237; SBI-0206858.P001; EBD2219942; BRN 1905732; UNII-ML9LGA7468; 66877-EP2308839A1; CS-B1821; SBB040879; PHENYLETHYL, B- ALCOHOL; NSC759116; P0084; 47427-EP2311834A1; AS00558; Tox21_201322; EINECS 200-456-2; .beta.-P.E.A.; MCULE-8439044075; NSC_6054; 53355-62-7; Ethanol, 2-phenyl-; 37330-EP2311802A1; NCGC00166215-02; KS-00000WSD; beta -hydroxyethylbenzene; Tox21_113544; ST50214476; Phenylethyl alcohol (USP); 37330-EP2311803A1; MolPort-000-872-041; 47427-EP2295427A1; DTXSID9026342; Benzeneethanol, 9CI; .beta.-Phenethyl alcohol; Phenylethyl alcohol [USP]; 196135-EP2272973A1; NSC406252; FEMA Number 2858; Phenyl Ethanol(Natural); Benzyl-Methanol; WRMNZCZEMHIOCP-UHFFFAOYSA-N; STL281950; NCGC00166215-05; AC1Q7CJR; 47427-EP2295426A1; 2-Phenylethanol, >=99.0% (GC); Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard; 2-Phenylethyl alcohol; ZB015067; Caswell No. 655C; HSDB 5002; WLN: Q2R; Phenylethanol; beta-Fenylethanol [Czech]; beta-Fenethylalkohol [Czech]; Tox21_113544_1; STOCK1N-73254; EN300-19347; KSC237A2B; Rose oil (Salt/Mix); 2-hydroxy-1-phenylethyl; Phenylethyl, beta- alcohol; 2-Hydroxyethylbenzene; 37330-EP2371814A1; 2-Phenethyl alcohol; 47427-EP2305673A1; 2-Phenylethanol, USP; MFCD00002886; CAS-60-12-8; TR-037232; Phenethyl alcohol, >=99%, FCC, FG; 196135-EP2272972A1; C05853; A832606; 2-Phenethanol; 66877-EP2281823A2; W6811; Benzylmethanol; CHEMBL448500; beta-PEA; bmse000659; EPA Pesticide Chemical Code 001503; 2-PHENYL-ETHANOL; PEL; 2-Phenylethanol, 99%; 4-06-00-03067 (Beilstein Handbook Reference); 1-Phenyl-2-ethanol; AI3-00744; D00192; beta-Fenethylalkohol; Hydroxyethylbenzene; Tox21_303383; 12472-EP2372017A1; Benzylcarbinol; betaphenylethyl alcohol; 12472-EP2287158A1; FEMA No. 2858; 2-(2-Hydroxyethyl)benzene; 2-Phenylethan-1-Ol; Benzyl ethyl alcohol; Phenethanol; DSSTox_RID_78104; F0001-1575; Phenethyl alcohol, natural, >=99%, FCC, FG; CCG-213419; b-Hydroxyethylbenzene; HMS3374P04; ZINC895934; Phenylethyl alcohol, USAN; InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H; SMR000059156; RL04267; MLS001336026; Phenethyl alcohol (natural); 1960/12/8; 66877-EP2298731A1 | C8H10O | 122.16 g/mol | C1=CC=C(C=C1)CCO |
| TCMBANKIN058502 | robinetinidol-(4α→8)-catechin-(6→4α)-robinetinidol | robinetinidol-(4alpha-8)-catechin-(6-4alpha)-robinetinidol | C45H38O18 | C1C(C(OC2=C1C(=C(C(=C2C3C(C(OC4=C3C=CC(=C4)O)C5=CC(=C(C(=C5)O)O)O)O)O)C6C(C(OC7=C6C=CC(=C7)O)C8=CC(=C(C(=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O | |
| TCMBANKIN058580 | pyroglutamicacid | pyroglutamic acid; InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9; EINECS 202-700-3; C02238; Pyroglutamic acid; PYRROLIDONE-5-CARBOXYLIC ACID; 16891-48-8; Proline, 5-oxo-, L-; P5960_SIGMA; L-5-Oxo-2-pyrrolidinecarboxylic acid; CHEBI:18183; (2S)-5-oxopyrrolidine-2-carboxylic acid; 2-L-Pyrrolidone-5-carboxylic acid; (S)-PYROGLUTAMIC ACID; NSC9966; AJIDEW A-100; GLUTIMIC ACID; P75202_ALDRICH; GLUTIMINIC ACID; 83160_FLUKA; 35255-51-7; L-PYRROLIDONECARBOXYLIC ACID; (S)-(−)-2-Pyrrolidone-5-carboxylic acid; 5-OXO-2-PYRROLIDINECARBOXYLIC ACID; Acide pidolique [INN-French]; (S)-5-Oxo-2-pyrrolidinecarboxylic acid; (-)-2-Pyrrolidone-5-carboxylic acid; (2S)-5-oxo-2-pyrrolidinecarboxylic acid; L-5-Carboxy-2-pyrrolidinone; 2-Benzothiazolesulfenic acid morpholide; 5-Pyrrolidinone-2-carboxylic acid; NCGC00160613-01; Pyroglutamate; NSC 9966; 5-Carboxy-2-pyrrolidinone; 2-Pyrrolidinone-5-carboxylic acid; Proline, 5-oxo-; NSC 143034; 6886-28-8; L-GLUTIMINIC ACID; 498-91-9; NSC11742; EINECS 223-735-0; SBB004232; 29222-42-2; PYRROLIDINONECARBOXYLIC ACID; Pidolic acid; 2-Pyrrolidone-5-carboxylate; L-Proline, 5-oxo-; 5-Pyrrolidone-2-carboxylic acid; OXOPROLINE; Acidum pidolicum [INN-Latin]; C01879; 5-Oxoproline; Pidolic acid [INN]; Pyrrolidonecarboxylic acid; PYROGLUTAMIC ACID, (L); 2-PYRROLIDONE-5-CARBOXYLIC ACID (L); 2-Oxopyrrolidine-5-carboxylic acid; (S)-(-)-2-Pyrrolidone-5-carboxylic acid; 87430-62-4; L-PYRROLIDINONECARBOXYLIC ACID; L-Glutamic acid gamma-lactam; nchembio756-comp7; (5S)-2-Oxopyrrolidine-5-carboxylic acid; L-5-Oxoproline; L-2-PYRROLIDONE-5-CARBOXYLIC ACID; Acido pidolico [INN-Spanish]; L-GLUTIMIC ACID; 2-Pyrrolidone-5-carboxylic acid; Pca | C5H7NO3 | 129.11 g/mol | C1CC(=O)NC1C(=O)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 |
| TCMBANKIN059262 | diisocapryl phthalate;Diop;diisooctyl phthalate;1,2-benzenedicarboxylic acid,diisooctyl ester | HSDB 588; 1,2-Benzenedicarboxylic acid, diisooctyl ester; bis(6-methylheptyl) benzene-1,2-dicarboxylate; Diisocapryl phthalate; EINECS 248-523-5; Diisooctyl phthalate; 71097-28-4; Phthalic acid, bis(6-methylheptyl)ester; Phthalic acid, diisooctyl ester; AI3-27697-X (USDA); 27554-26-3; Diisooctyl 1,2-benzenedicarboxylate; 1330-91-2; NSC 6381; Di-iso-octyl phthalate; 41375-90-0; benzene-1,2-dicarboxylic acid bis(6-methylheptyl) ester; C14577; DIISOOCTYL PHTHALATE (SEE 27554-26-3); Hexaplas M/O; 25103-50-8; Corflex 880; Flexol Plasticizer DIOP; 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediyl diisooctyl ester; Isooctyl phthalate | C24H38O4 | 390.6 g/mol | CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C |
| TCMBANKIN059265 | 3-methyl butanol;3-methyl-1-butanol;isoamyl alcohol | 3-methyl- butanol; 3-Methylbutanol | C5H12O | 88.15 g/mol | CC(C)CCO |
| TCMBANKIN059435 | 2- Butenal | C4H6O | 70.09 g/mol | CC=CC=O | |
| TCMBANKIN059531 | eucalyptol | C10H18O | 154.25 g/mol | CC1(C2CCC(O1)(CC2)C)C | |
| TCMBANKIN059711 | beta carotene | C40H56 | 536.87 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | |
| TCMBANKIN059717 | beta-Cyclocitral | C10H16O | 152.23 g/mol | CC1=C(C(CCC1)(C)C)C=O | |
| TCMBANKIN059722 | rehmapicrogenin | C10H16O3 | 184.23 g/mol | CC1=C(C(CCC1O)(C)C)C(=O)O | |
| TCMBANKIN059827 | phenol,2,6-bis(1,1-dimethylethyl)-4-methyl | C15H24O | 220.35 g/mol | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C | |
| TCMBANKIN059901 | p-xylene | C8H10 | 106.17 | CC1=CC=C(C=C1)C | |
| TCMBANKIN059955 | 2-methylnaphthalene | C11H10 | 142.2g/mol | CC1=CC2=CC=CC=C2C=C1 | |
| TCMBANKIN060672 | 1-pentene-3-ol | C5H10O | 86.13 g/mol | CCC(C=C)O | |
| TCMBANKIN060701 | Pentenal | C5H8O | 84.12 | CCC=CC=O | |
| TCMBANKIN060716 | β-hexenol | C6H12O | 100.16 g/mol | CCC=CCCO | |
| TCMBANKIN060717 | Leaf acetate | C8H14O2 | 142.2g/mol | CCC=CCCOC(=O)C | |
| TCMBANKIN060720 | CIS-2-PENTENOL | C5H10O | 86.13g/mol | CCC=CCO | |
| TCMBANKIN060794 | Trans-2-hexen-1-ol | C6H12O | 100.16 g/mol | CCCC=CCO | |
| TCMBANKIN060827 | Valeraldehyde | C5H10O | 86.13g/mol | CCCCC=O | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060891 | 2-Amyl furan | C9H14O | 138.21 g/mol | CCCCCC1=CC=CO1 | |
| TCMBANKIN060918 | WLN: VH6 | C7H14O | 114.19 | CCCCCCC=O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060978 | Mnk | C11H22O | 170.29 | CCCCCCCCCC(=O)C | |
| TCMBANKIN060994 | capraldehyde | C10H20O | 156.26 g/mol | CCCCCCCCCC=O | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061187 | 1-octanol | C8H18O | 130.23 g/mol | CCCCCCCCO | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061365 | Sinoacutine | (-)-salutaridine; C05179; sinoacutine; (-)-Sinoacutine; 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one; 4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; SCHEMBL563455; 1369-69-3; (+-)-SALUTARIDINE; 7X10PRH74D; Salutaridine; 1936-18-1; 1005309-77-2; BDBM50378615; Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-; GVTRUVGBZQJVTF-YJYMSZOUSA-N; (+)-salutaridine; CHEBI:17225; 716342-86-8; CHEMBL404097; HSDB 8325; Sinoacutin; UNII-7X10PRH74D; 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one; 17039-45-1; Floripavine | C19H21NO4 | 327.37 | CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
| TCMBANKIN061469 | isoferulic acid | 4CH-004345; KBio3_001774; NSC-51987; 4FE; Spectrum3_000887; 25522-33-2; ST098721; FCH3451845; AX8011852; 537-73-5; V0307; CHEBI:27794; Bio-0194; 3-Hydroxy-4-methoxycinnamate; KBio2_004107; CS-W020120; (E)-3'-Hydroxy-4'-methoxycinnamic acid; ZINC156055; 3-Hydroxy-4-methoxycinnamic acid; BRN 2212760; M-2347; SpecPlus_000233; 2-Propenoic acid,3-(3-hydroxy-4-methoxyphenyl)-, (2E)-; C10470; SCHEMBL249041; N1393; 4-10-00-01777 (Beilstein Handbook Reference); QURCVMIEKCOAJU-HWKANZROSA-N; XSQ2K2G7MC; 3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 97%; EINECS 208-676-0; Spectrum4_000979; 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid; NCGC00247490-01; 3-hydroxy-4-methoxy-Cinnamate; 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid; AK676011; AM20040660; Isoferulate; 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (2E)-; 3-(3-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(3-hydroxy-4-methoxyphenyl)acrylic acid; AC1LEHK0; PubChem8187; ST2404733; Cinnamic acid, 3-hydroxy-4-methoxy-; 2-Hydoxy-4-methoxy-5-sulfobenzophenone; KBioSS_001539; UNII-XSQ2K2G7MC; TX-011905; 3-Hydroxy-4-methoxycinnamic acid, predominantly trans; 3-hydroxy-4-methoxy-cinnamic acid; 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; Z2693271860; HMS2268G06; BG01510484; SMR001215828; GTPL7980; ST5135831; 103012_ALDRICH; BBV-025077; BDBM50241245; SC-05161; (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; AC1Q4691; MolPort-000-490-526; (E)-3-(3-hydroxy-4-methoxy-phenyl)-acrylic acid; CI-177; isoferulic acid ; KBio2_006675; AX8329161; AC1Q5T96; MFCD00004391; EINECS 247-071-6; DivK1c_006329; Q-100609; AC1Q5RAQ; FCH089654; Hesperetic acid; 537H735; KBio1_001273; KBioGR_001357; AK-88788; MLS000563054; Hesperetate; I01-2711; bmse000618; trans-Isoferulic acid, analytical standard; (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid; Spectrum_001059; AKOS000141174; (E)-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid; RP25302; Cinnamic acid, 3-hydroxy-4-methoxy- (8CI); STR05122; SBB042817; Isoferulasaure; MS-11465; AB0019799; D04EWW; Isoferulic acid; 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-Hydroxy-4-methoxycinnamic-acid; (2E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid #; (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; AC1Q4690; NSC51987; AJ-13677; KBio2_001539; Hespertitinic acid; NSC 51987; DB07109; EN300-50983; SCHEMBL249042; 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-; CHEMBL233295; KB-182983; 3-(3-hydroxy-4-methoxyphenyl)-2-Propenoate; MCULE-7013523945;hespereticacid | C10H10O4 | 194.18 | COC1=C(C=C(C=C1)C=CC(=O)O)O |
| TCMBANKIN061489 | Diosmetin | C10038; 520-34-3; AIDS-214630; KBioGR_001586; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; SpecPlus_000435; Spectrum3_000987; Spectrum_001505; SDCCGMLS-0066783.P001; diosmetin; ST5331610; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001113; DivK1c_006531; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-; KBio1_001475; 3',5,7-trihydroxy-4'-methoxy flavone; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; SPBio_001735; Spectrum5_001707; KBioSS_001985; KBio2_004553; AIDS214630; KBio2_001985; NCGC00163540-01; EINECS 208-291-8; KBio2_007121; 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; Luteolin 4'-methyl ether; KBio3_001873; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone; CHEBI:4630; 3',5,7-trihydroxy-4'-methoxyflavone; Spectrum2_001638; BSPBio_002653; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone; 5,7,3'-trihydroxy-4'-methoxyflavone | C16H12O6 | 300.26 g/mol | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN061682 | 3-O-Methylquercetin | ACon1_000818; NSC 154016; AIDS-104113; NSC154016; TNP00037; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one); MLS000877018; 3-O-MQ; Oprea1_264124; C04443; 3-o-methylquercetin ; MEGxp0_000771; AIDS104113; 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-; SMR000440662; 1486-70-0; ZINC00015631; Quercetin-3-methyl ether; 3',4',5',7'-Tetrahydroxy-3-methoxyflavone; NCGC00017391-01; NCGC00142365-01; Quercetin-3-methylether; 3-Methoxy quercetin; Quercetin-3-O-methyl ether; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4-chromenone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one; 3-Methoxy-5,7,3',4'-tetrahydroxyflavone; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one; 3-MQ; Flavone, 3',4',5,7-tetrahydroxy-3-methoxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one; 3-o-methylquercetin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one; CHEBI:16860;quercetin-3-methylether;5,7,3',4'-tetrahydroxy-3-methoxyflavone;3-Methoxy-quercetin | C16H12O7 | 316.26 g/mol | COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
| TCMBANKIN061825 | kaempferide | CHEBI:58925; kaempferide(1-); kaempferide anion; 5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-olate;4'- meth- oxy- 3,5,7- trihydroxy flavone | C16H12O6 | 300.26 g/mol | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN061936 | dimethyl sulfone | RL04588; AC1L1M1F; CHEBI:9349; C2H6O2S; M1239; NSC63345; 74380-EP2371800A1; Dimethyl sulfone, 98%; MolPort-003-666-648; Dimethyl sulfone, Standard for quantitative NMR, TraceCERT(R); InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; ACMC-209o0h; Sulfonylbis-methane; KSC352Q8H; Methane, sulfonylbis-; AN-23767; TR-022731; 54841-73-5; Sulfone, dimethyl-; CJ-12200; BDBM50026473; NCGC00357027-01; sulfonyldimethane; ANW-35391; Methylsulfonylmethane, United States Pharmacopeia (USP) Reference Standard; DMSO2; 90984-EP2305248A1; UNII-9H4PO4Z4FT; TL8004770; 9H4PO4Z4FT; FT-0625160; NSC 63345; KB-50116; DSSTox_GSID_43937; Methylsulfonyl methane; MolMap_000019; I09-1058; A835859; SPECTRUM1505358; DB-050533; methy sulfone; 74380-EP2270002A1; HHVIBTZHLRERCL-UHFFFAOYSA-N; CAS-67-71-0; NE10495; Methylsulfonylmethane; C11142; RTR-022731; Sulfonylbismethane; EN300-79559; TRA0007185; AKOS015897615; 2-Thiapropane2,2-dioxide; Methyl sulfone; LS-90358; 90984-EP2280012A2; METHYL SULFONYL METHANE; M0509; CTK2F2883; Dimethyl sulfone; dimethylsulphone; Ambap67-71-0; 74380-EP2371798A1; Z417007936; 74380-EP2371797A1; ZINC4658606; MFCD00007566; Dimethyl sulphone; 162163-EP2281815A1; 74380-EP2269993A1; KS-00000V5O; CCG-214558; MCULE-3320409932; 74380-EP2308857A1; DSSTox_CID_23937; AI3-25306; EINECS 200-665-9; 74380-EP2371804A1; METHANESULFONYLMETHANE; methyl sulfonmethane; Opti MSM; NCGC00095990-01; CCRIS 2938; DIMETHYLSULFONE; CHEMBL25028; 67-71-0; Sulphonylbismethane; F0001-1776; (methylsulphonyl)methane; NSC-63345; DTXSID4043937; Tox21_303712; (methylsulfonyl)methane; Lignisul MSM; methylsulfone; dimethylsulfon; Methane, 1,1'-sulfonylbis-; Methylsulfonylmethane, Pharmaceutical Secondary Standard; Certified Reference Material;mesylmethane;Methylsulfonylmethane; sulfonyldimethane; CHEBI:9349; sulphonylbismethane; C11142; NSC63345; Sulfonylbismethane; NSC 63345; InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H; M81705_ALDRICH; Methylsulfonyl methane; Methyl sulfone; AI3-25306; EINECS 200-665-9; MolMap_000019; NCGC00095990-01; 41631_FLUKA; CCRIS 2938; DIMETHYLSULFONE; Methane, sulfonylbis-; SPECTRUM1505358; 67-71-0; 54841-73-5; Dimethyl sulfone; ZINC04658606; Methyl sulfone (8CI); Dimethyl sulphone | C2H6O2S | 94.14 g/mol | CS(=O)(=O)C |
| TCMBANKIN061945 | Methyl trisulfide | methylsulfanyldisulfanylmethane; Trisulfide, dimethyl; Methyl trisulfide (8CI); AI3-26172; 2,3,4-Trithiapentane; ZINC04097550; trisulfane, dimethyl-; NSC 97324; FEMA No. 3275; dimethyltrisulfane; C08372; 3658-80-8; 79592_FLUKA; NSC97324; Dimethyl trisulfide; DIMETHYLTRISULFIDE; EINECS 222-910-9; Dimethyl trisulphide; W327506_ALDRICH; (methylthio)disulfanylmethane; 85931-54-0; InChI=1/C2H6S3/c1-3-5-4-2/h1-2H; DTXSID9063118; MolPort-003-939-109; Jsp006510; CC-26995; DMTS; Dimethyl trisulfide, >=98%, FG; Trisulfide, dimethyl; Methyl trisulfide (8CI); AI3-26172; D3418; 2,3,4-Trithiapentane; Dimethyl trisulfide, analytical standard; 2,4-Trithiapentane; A823301; (methyltrisulfanyl)methane; trisulfane, dimethyl-; FEMA No. 3275; NSC 97324; CTK1C3031; Dimethyl trisufide; Methyl trisulfide; FT-0625104; CHEBI:4614; CH3SSSCH3; ACMC-1CKK0; dimethyltrisulfane; C08372; FCH1116209; 3658-80-8; AN-20923; DIMETHYLTRISULFIDE; Dimethyl trisulfide; 3E691T3NL1; EINECS 222-910-9; KSC223A3D; NSC97324; CJ-11315; YWHLKYXPLRWGSE-UHFFFAOYSA-N; 1,3-Dimethyltrisulfane (ACD/Name 4.0); TRA0026026; MFCD00039808; 658D808; I09-0152; Dimethyl trisulphide; InChI=1/C2H6S3/c1-3-5-4-2/h1-2H; AKOS015897465; KS-00000V9M; RT-000574; Q-100435; UNII-3E691T3NL1; DB-003633; 85931-54-0; SCHEMBL446658; 1,3-Dimethyltrisulfane #; NSC-97324; ANW-28444; methylsulfanyldisulfanyl-methane; AC1L2DW2; C-34424;dimethyl trisulfide | C2H6S3 | 126.26 g/mol | CSSSC |
植物对应的疾病
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植物对应的靶点
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