Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE006021 |
ID: | TCMBANKHE006021 |
植物拉丁名: |
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功能与主治: | To tonify the liver and the kidney, to replenish vital essence and blood, and to relax the bowels./Dizziness, tinnitus and deafness, premature graying in beard and hair, hair loss during convalescence, intestinal dry and constipation. |
药用植物名: | 黑芝麻 |
药用部位: | black seed |
药味: | Mild; Sweet |
经络: | Large Intestine; Liver; Kidney |
治疗类型: | 补阴药 |
TCM_ID_id: | 6841 |
SymMap_id: | 166 |
TCMSP_id: | 336 |
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 |
|---|
| TCMBANKIN000056 | sesamol | LUSZGTFNYDARNI-UHFFFAOYSA-N; Sesamol, purum, >=98.0% (GC); NCGC00258763-01; SR-01000944738-1; Z1262246129; W-105747; NSC 59256; MCULE-8945575085; benzo[d][1,3]dioxol-5-ol; CHEMBL1517998; 533S313; S3003_ALDRICH; K-9668; DTXSID9021267; Tox21_201211; CTK3J6230; Sesamol, Vetec(TM) reagent grade, 98%; sesamol, ion (1+); BG00600287; ZB008171; Sesamol; AC-11668; AI3-17298; 3,4-(Methylenedioxy)-Phenol; DSSTox_GSID_21267; EBD8850; MFCD00005827; 3,4 Methylenedioxy Phenol; 3,4-methylenedioxy phenol; RTR-018861; 3,4-methylendioxy-phenol; 2H-benzo[d]1,3-dioxolen-5-ol; FT-0614403; 5-hydroxy-1,3-benzodioxolane; AC1Q6ZYU; 533-31-3; Phenol,4-(methylenedioxy)-; STOCK1N-66692; 4,5-methylenedioxyphenol; EINECS 208-561-5; NSC59256; AB1001909; MolPort-000-145-941; STK568334; Y0189; 2H-1,3-Benzodioxol-5-Ol; SY015819; 5-Hydroxy-1,3-benzodioxole; TR-018861; BG01497769; KB-64442; A25062; AKOS005493905; 3,4-(Methylenedioxy)phenol; 5-Benzodioxolol; NCGC00091628-02; InChI=1/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H; CAS-533-31-3; (3,4-methylenedioxy)phenol; Sesamol 10g; CS-0016841; Methylene ether of oxyhydroquinone; Sesamol, 98%; WLN: T56 BO DO CHJ GQ; BRN 0127405; SDCCGMLS-0066221.P001; BBL027539; Phenol, 3,4-(methylenedioxy)-; 85070_FLUKA; BDBM36291; NCGC00091628-01; 3,4-(Methylenedioxy)phenol; 5-hydroxylbenzo[1,3]dioxolane; ZINC00164504; sesamol sodium; Sesamol, analytical standard; DSSTox_RID_76047; BZX; ST5330663; 5-Benzodioxolol; I01-0893; SC-17690; 5-19-02-00532 (Beilstein Handbook Reference); benzo[1,3]dioxol-5-ol; 3,4-(Methylenedioxy)phenol; 1,3-Benzodioxol-5-ol; 5-Benzodioxolol; 3,4-Methylenedioxyphenol; ZINC164504; CHEBI:9126; sesamol lithium; 1,3-Benzodioxol-5-ol, 9CI; RP17328; KSC496E3B; S8518_SIGMA; 3,4-methylenedioxy-phenol; CCRIS 1386; DSSTox_CID_1267; 3,4-Methylendioxyphenol; AN-45647; AC1L29FS; sesamol titanium (+4); NSC-59256; F0001-1376; 5-Hydroxy-1, 3-benzodioxole; SCHEMBL20959; SR-01000944738; 5-Hydroxybenzo[1,3]dioxole; 1,3-Benzodioxol-5-ol (Sesamol); 1,3-Benzodioxol-5-ol; 5-Hydroxy-1,3-benzodioxole;5-Benzodioxolol;3,4-Methylendioxyphenol;3,4-methylenedioxyphenoL;3,4-(Methylenedioxy)phenol, sesamoL;1,3-Benzodioxol-5-ol; 1,2,4-Benzenetriol methylene ether; UNII-94IEA0NV89; 94IEA0NV89; C10832; AC1Q798T; 3ao1; ANW-43857; DB-021955; S0418; TL8003505; 5-hydroxy-benzo[1.3]dioxole; SBB085996; LS-2149; 1, 3-Benzodioxol-5-ol; ST50330663; GF-0128 | C7H6O3 | 138.12 | C1OC2=C(O1)C=C(C=C2)O |
| TCMBANKIN000328 | 4,8-dimethyl-Undecane | 4,8- dimethyl-Undecane | C13H28 | 184.36 | CCCC(C)CCCC(C)CCC |
| TCMBANKIN001719 | lecithin | phosphatidylcholine; 1-Lignoceryl-2-eicsoic acid; 1-Lignoceryl-2-eicsoate; 1-Lignoceryl-2-eicsoatetraenoyl-sn-glycero-3-phosphocholine | C52H98NO7P | 880.3 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC |
| TCMBANKIN002078 | Dow Corning product Z-6187 | CM8650; cyclohexyl-dimethoxy-methylsilane; cyclohexyl-dimethoxy-methyl-silane; 435635_ALDRICH; Cyclohexyl(dimethoxy)methylsilane | C9H20O2Si | 188.34 | CO[Si](C)(C1CCCCC1)OC |
| TCMBANKIN002254 | Myristonitrile | NSC 910; Nitriles, C14-18; EINECS 211-099-7; Myristyl nitrile; AI3-00310; 68002-66-4; EINECS 268-080-1; (C14-C18)Alkylnitrile; Tetradecanenitrile; ST5410289; 1-Cyanotridecane; NSC910; 629-63-0 | C14H27N | 209.37 | CCCCCCCCCCCCCC#N |
| TCMBANKIN003964 | platycogenic acid a | Platycogenic acid A; AC1NSZPE; (2S,3R,4S,6aR,8S,8aR,12aS,14bR)-2,3,8-trihydroxy-4-(hydroxymethyl)-6a,6b,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid; platycogenicacid a | C30H46O8 | 534.7 g/mol | CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(CO)C(=O)O)O)O)C)C)C(=O)O)C |
| TCMBANKIN004638 | polygalacic acid | SMR001215693; CHEMBL1722733; polygalacicacid; NCGC00247514-01; Polygalacic acid; MLS000575020; HMS2268O05 | C30H48O6 | 504.7 g/mol | CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C(=O)O)C |
| TCMBANKIN005050 | (2R)-2-methylbutan-1-ol | ZINC01586738; InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H; 1-BUTANOL,2-METHYL MFC5 H12 O1 | C5H12O | 88.15 | CCC(C)CO |
| TCMBANKIN005500 | 8-[(2S)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-1-methyl-carbostyril | 8-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-1-methyl-2-quinolinone; 8-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-1-methylquinolin-2-one; 8-[(2S)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-1-methyl-quinolin-2-one; ZINC00035533 | C16H21NO5 | 307.34 | |
| TCMBANKIN006162 | 4-methyloctane | C9H20 | 128.26 | CCCCC(C)CCC | |
| TCMBANKIN006329 | 4,5-dimethylnonane | 4,5-Dimethylnonane; 4,5-dimethyl-Nonane | C11H24 | 156.31 | CCCCC(C)C(C)CCC |
| TCMBANKIN006757 | 4-[formy 1-5-(hydroxymethyl)-1H-pyrrol-l-yl] butanoic acid | ||||
| TCMBANKIN007637 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN009714 | ZINC02041097 | (3R)-butane-1,3-diol; (R)-(−)-1,3-Butanediol; InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H; 237612_ALDRICH | C4H10O2 | 90.12 | CC(CCO)O |
| TCMBANKIN010082 | Methyl decenoate | dodec-11-enoic acid methyl ester; 11-Dodecenoic acid, methyl ester; methyl dodec-11-enoate | C13H24O2 | 212.33 | COC(=O)CCCCCCCCCC=C |
| TCMBANKIN010975 | delphinidin-3-di-caffeoylrutinosido-5- glucoside | ||||
| TCMBANKIN011615 | latycodigenin | 2-(2-Benzoylphenyl)-4H-3,1-benzooxazine-4-one; 2-(2-benzoylphenyl)-3,1-benzoxazin-4-one; J3.510.923D; NSC-255313; AKOS024334370; NSC255313; 2-(2-benzoylphenyl)-4h-3,1-benzoxazinone; ZINC395176; AC1L7YG4; MCULE-6186394289; SCHEMBL1478089 | C21H13NO3 | 327.3 g/mol | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)O3 |
| TCMBANKIN011759 | Mondur O | Baykanol OI; Isocyanic acid, octadecyl ester; NSC66466; 305405_ALDRICH; Stearyl isocyanate; NSC 66466; OCTADECYL ISOCYANATE; Bykanol OI; Tonco-70; 112-96-9; O1807_ALDRICH; 1-Isocyanatooctadecane; Octadecane, 1-isocyanato-; EINECS 204-019-7; 4-04-00-00834 (Beilstein Handbook Reference); n-Octadecyl isocyanate; BRN 1791451; Millionate O; 156520-08-0; 1-Octadecyl isocyanate | C19H37NO | 295.5 | CCCCCCCCCCCCCCCCCCN=C=O |
| TCMBANKIN012330 | Sesamolinol | 4-[[(1S,3aR,4R,6aR)-1-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]oxy]-2-methoxyphenol; AC1L9DVK; (+)-sesamolinol; 4-[[(1S,3aR,4R,6aR)-1-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-4-yl]oxy]-2-methoxy-phenol; sesamolinol; 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol; C10883; 100016-94-2; CHEBI:9127; DTXSID10332041; 4-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxy-phenol | C20H20O7 | 372.37 | COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O |
| TCMBANKIN012460 | Folinic acid | 4-{[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-dicobaltiopropyl)benzamide; folinic acid; N5 -Formyl-5,6,7,8- tetrahydropteroyl-L -glutamic acid; N5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid; folinicacid | C99H148N24O24S2 | 2122.51 | C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2] |
| TCMBANKIN012537 | sesamose | C24H42O21 | 666.6 g/mol | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(O3)(CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O)O)O | |
| 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] |
| TCMBANKIN012763 | 2,3,5-trimethyl-Hexane | C9H20 | 128.26 | CC(C)CC(C)C(C)C | |
| TCMBANKIN012936 | Tetradecyl cyanide | 18300-91-9; Pentadecanenitrile; EINECS 242-184-7 | C15H29N | 223.4 | CCCCCCCCCCCCCCC#N |
| TCMBANKIN014225 | Pedaliin | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; pedaliin; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone | C22H22O12 | 478.4 | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN014623 | platycogenic acid b | Platycogenic acid B; (2S,3R,4R,6aR,8S,8aR,10S,12aS,14bR)-2,3,8,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid; platycogenicacid b; AC1NSZPH | C30H46O8 | 534.7 g/mol | CC1(CC2C3=CCC4C(C3(CC(C2(CC1O)C(=O)O)O)C)(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C |
| TCMBANKIN015495 | Diethylacetic acid | NSC 11765; EINECS 201-796-4; AI3-04629; InChI=1/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8; Acetic acid, diethyl-; 2-Ethylbutanoic acid; LMFA01020077; 3-Pentanecarboxylic acid; diethyl acetic acid; BRN 1098634; 88-09-5; NSC11765; 2-ethyl-butanoic acid; FEMA No. 2429; 2-Ethyl butanoic acid; NSC8758; Butyric acid, 2-ethyl-; alpha-Ethylbuytyric acid; 03190_FLUKA; .alpha.-Ethylbutyric acid; 4-02-00-00950 (Beilstein Handbook Reference); WLN: QVY2&2; Butanoic acid, 2-ethyl-; 2-Ethylbutyric acid; alpha-Ethylbutyric acid; 109959_ALDRICH; 134331-89-8; W242918_ALDRICH; Kyselina diethyloctova [Czech] | C6H12O2 | 116.16 g/mol | CCC(CC)C(=O)O |
| TCMBANKIN016474 | Ethyl valerate | Pentanoic acid, ethyl ester; Valeric acid, ethyl ester (8CI); Ethyl n-valerate; AI3-01270; 290866_ALDRICH; FEMA No. 2462; Ethyl valerianate; valeric acid ethyl ester; 30784_FLUKA; Ethyl pentanoate; Valeric acid, ethyl ester; NSC 8868; pentanoic acid ethyl ester; NSC8868; ZINC01648285; 539-82-2; W246204_ALDRICH; ethyl valerate; EINECS 208-726-1 | C7H14O2 | 130.18 | CCCCC(=O)OCC |
| TCMBANKIN017265 | 2,3-dimethyl-Nonane | C11H24 | 156.31 g/mol | CCCCCCC(C)C(C)C | |
| TCMBANKIN017339 | Sesamoside_qt | C17H24O12 | 420.37 | ||
| TCMBANKIN019942 | vitamin e | vitamin-e; LS-187838; alpha-tocopherol; tocopherol; β-Tocopherol; α-tocopher | C29H50O2 | 430.7 g/mol | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
| TCMBANKIN020964 | cytochrome C | cytochrome c | 829.16 | ||
| TCMBANKIN021070 | lycopose | Lycopose | C36H62O31 | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6(C(C(C(O6)CO)O)O)CO)CO)CO)CO)CO)O)O)O)O | |
| TCMBANKIN022431 | Palmitonitrile | 68002-64-2; NSC2137; NSC 2137; AI3-11234; Hexadecanenitrile; Nitriles, C16 and C18-unsatd.; Palmitic acid, nitrile; 1-Cyanopentadecane; Palmitonitrile (8CI); EINECS 211-110-5; 629-79-8 | C16H31N | 237.42 | CCCCCCCCCCCCCCCC#N |
| TCMBANKIN022544 | ZINC00901303 | InChI=1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H | C5H10O | 86.13 | |
| TCMBANKIN023552 | Durol | p-Xylene, 2,5-dimethyl- (7CI); C14534; 95-93-2; Benzene, 1,2,4,5-tetramethyl-; NCIMech_000514; 44624_FLUKA; ST5188811; AI3-25182; 2,5-dimethyl-p-xylene; WLN: 1R B1 D1 E1; InChI=1/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H; Durene; CHEBI:38978; 1,2,4,5-Tetramethylbenzene; NSC 6770; NSC6770; EINECS 202-465-7; T19607_ALDRICH | C10H14 | 134.22 | CC1=CC(=C(C=C1C)C)C |
| TCMBANKIN024118 | 7-stigmasterol | ||||
| TCMBANKIN024968 | Citrusin B_qt | citrusin B_qt | C27H36O13 | 568.57 | |
| TCMBANKIN025099 | platycogenic acid c | (3S,4aR,5S,6bR,10R,11S,12aR,14bS)-3,5,10,11-tetrahydroxy-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; Platycogenic acid C; AC1NSZPK; platycogenicacid c | C30H48O6 | 504.7 g/mol | CC1(CC2C3=CCC4C(C3(CC(C2(CC1O)C(=O)O)O)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C |
| TCMBANKIN025589 | Sesamoside | sesamoside | C17H24O12 | 420.37 | CC12C3C(OC=C(C3(C(C1O2)O)O)C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN025955 | alpha-spinasteryl-?-d-glucoside | ||||
| TCMBANKIN025979 | 6-Propyltridecane | 6-Propyl-Tridecane | C16H34 | 226.44 | CCCCCCCC(CCC)CCCCC |
| TCMBANKIN026218 | platygalacic acid | platygalacic acid | |||
| TCMBANKIN027702 | Citrusin B | SCHEMBL7641595; 3-[3-Methoxy-4-[(beta-D-glucopyranosyl)oxy]phenyl]-2-[2,6-dimethoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-1,3-propanediol; citrusin B; citrusin b; 105279-10-5 | C27H36O13 | 568.57 | COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)C=CCO |
| TCMBANKIN028145 | 2-Methyl-5-ethylpyrazine | 2-ethyl-5-methyl-pyrazine; EINECS 236-416-6; FEMA No. 3154; 2-ETHYL-5-METHYLPYRAZINE; 5-23-05-00419 (Beilstein Handbook Reference); 2-Ethyl-5-methyl pyrazine; BRN 0956719; AI3-34443; 13360-64-0; Pyrazine, 2-ethyl-5-methyl- | C7H10N2 | 122.17 | CCC1=NC=C(N=C1)C |
| TCMBANKIN028465 | Amyl propionate | AI3-24356; Propionic acid, pentyl ester (6CI,7CI,8CI); propionic acid amyl ester; ZINC01586315; propanoic acid pentyl ester; n-Amyl propionate (natural); Pentyl propanate; BRN 1747102; Amyl propanoate; 410446_ALDRICH; n-Pentyl propionate; n-Pentyl propanoate; NSC 7931; Propanoic acid, pentyl ester; NSC7931; Pentyl propanoate; EINECS 210-852-7; Propionic acid, pentyl ester; n-Amyl propionate; 624-54-4; Pentyl propionate | C8H16O2 | 144.21 | CCCCCOC(=O)CC |
| TCMBANKIN032394 | planteose | C18H32O16 | 504.44 | C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O | |
| TCMBANKIN033977 | 4-methyl-octanoic | ||||
| TCMBANKIN034118 | 6-methyl-dotriacontane | C33H68 | 464.9 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCC | |
| TCMBANKIN034248 | 3-Ethyloctane | 5881-17-4; Octane, 3-ethyl- | C10H22 | 142.28 | CCCCCC(CC)CC |
| TCMBANKIN036042 | 2-Methylpyrrole | NSC81346; 1H-Pyrrole, 2-methyl-; Pyrrole, 2-methyl-; 2-Methylpyrolle; EINECS 211-255-4; .alpha.-Methylpyrrole; 2-Methyl-1H-pyrrole; 636-41-9; NSC 81346; InChI=1/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H; 1H-Pyrrole, 2-methyl- (9CI); Pyrrole, 2-methyl- (8CI); alpha-Methylpyrrole | C5H7N | 81.12 | CC1=CC=CN1 |
| TCMBANKIN036275 | Ethylisobutyrate | 246085_ALDRICH; Ethyl isobutyrate (natural); 2-methylpropionic acid ethyl ester; W242802_ALDRICH; ETHYL ISOBUTYRATE; 58380_FLUKA; Isobutyric acid, ethyl ester; W242810_ALDRICH; Propionic acid, 2-methyl-, ethyl ester; NSC97194; 2-methylpropanoic acid ethyl ester; AI3-06121; 97-62-1; UN2385; 4-02-00-00846 (Beilstein Handbook Reference); Propanoic acid, 2-methyl-, ethyl ester; Ethyl isobutyrate [UN2385] [Flammable liquid]; BRN 0773846; WLN: 2OVY1&1; InChI=1/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H; EINECS 202-595-4; Ethyl 2-methylpropionate; Ethyl 2,2-dimethylacetate; FEMA No. 2428; ZINC00391109; Ethyl 2-methylpropanoate; Ethyl isobutanoate; NSC 97194 | C6H12O2 | 116.16 | CCOC(=O)C(C)C |
| TCMBANKIN036698 | polygalain acid | ||||
| TCMBANKIN036837 | vitexin | 49513_FLUKA; vitexin ; vitexin-7-olate anion; Flavone, 8-D-glucosyl-4',5,7-trihydroxy-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; vitexin-7-olate; vitex-in; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-Glucopyranosyl-apigenin; 521-33-5; CHEBI:16954; 8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Vitexin; vitexin-7-olate(1-); 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; Apigenin 8-C-glucoside; 8C-hexosyl apigenin; (1S)-1,5-anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol; CHEBI:57963; (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-beta-D-glucopyranosyl-2-(4-hydroxyphenyl)-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-.beta.-D- glucopyranosyl-2-(4-hydroxyphenyl)-; 8-C-beta-glucopyranosylapigenin; 4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-; NCGC00163642-01; C01460; EINECS 222-963-8; 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; vitexin anion; 3681-93-4; AIDS026705; AIDS-026705 | C21H20O10 | 432.378 | c1([H])c(C2=C([H])C(c3c(c([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(O[H])c([H])c3O[H])O2)=O)c([H])c([H])c(O[H])c1[H] |
| TCMBANKIN038143 | stachyose | O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside; 10094-58-3; C01613; Stachyose; beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; 470-55-3; alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxymethyl]tet; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetra; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,; CHEBI:17164 | C24H42O21 | 667 | O([H])[C@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[C@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H] )O[H])O[C@]3([H])O[C@]4([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)C([H])([H])O[H])O2)O[C@]1([H])C([H])([H])O[H] |
| TCMBANKIN039722 | orientin | 28608-75-5; Orientin; CHEBI:7781; luteolin-8-C-beta-D-glucopyranoside; Lutexin; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; AIDS026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; Luteolin 8-C-glucoside; 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 8-beta-D-glucosylluteolin; 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; C10114; LMPK12110470; AIDS-026706; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-; Orientin (Flavone); Luteolin 8-C-beta-D-glucopyranoside; Luteolin 8-glucoside; 8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone | C21H20O11 | 448.38 | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O |
| TCMBANKIN044848 | platycodin C | CHEMBL1641860; 2'O-Acetylplatycodin D; 3''O-acetylplatycodin D; 66779-35-9; C17487; CHEBI:70437; Platycodin C | C58H92O29 | 1253 | C1(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C(=C([H])C([H])([H])[C@]([H])([C@@](C([H])([H])[H])(C([H])([H])[C@]([H])(O[H])[C@]([H])(O[C@]2([H])O[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H ])[C@@]2([H])O[H])C3(C([H])([H])O[H])C([H])([H])O[H])[C@@]3([H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H])[H])C([H])([H])[C@@]6([H])O[H])[C@]6(C(O[C@]7([H])OC([H])([H])[C@]([H])(O[ H])[C@]([H])(O[H])[C@@]7([H])O[C@]8([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@@]9([H])[C@]([H])(O[H])[C@@]([H])(O[C@@]%10([H])[C@]([H])(O[H])[C@](C([H])([H])O[H])(O[H])C([H])([H])O%10)[C@]([H])(O[H ])C([H])([H])O9)[C@@]([H])(OC(C([H])([H])[H])=O)[C@@]8([H])O[H])=O)C([H])([H])C1([H])[H] |
| TCMBANKIN045116 | Platycodin A | 3'-O-Acetylplatycodin D; C17443; Platycodin A; 66779-34-8; platycodin a ; CHEMBL1641861; CHEBI:70438 | 1267.4 g/mol | ||
| TCMBANKIN045491 | 3-methyl-Tridecane | C14H30 | 198.39 | CCCCCCCCCCC(C)CC | |
| TCMBANKIN047089 | raffinose | Melitriose, Raffinose; alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl (1 to 6)-; 6G-alpha-D-galactosylsucrose; alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside; Gossypose; alpha-D-glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1->6)-; 17629-30-0; alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf; alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1>6)- (9CI); beta-D-Fructofuranosyl-O-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; Raffinose; CHEBI:16634; 512-69-6; AIDS-014662; (2R,3R,4S,5S,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol; SCHEMBL16435154; O-alpha-D-Galactopyranosyl(1,6)-O-alpha-D-glucopyranosyl-(1,2)-beta-D-fructofuranoside; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol; C00492; beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside; AIDS014662 | C18H32O16 | 504 | O([H])C([H])([H])[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3(O[C@]([H])(C([H])([H])O[H])[ C@@]([H])(O[H])[C@]3([H])O[H])C([H])([H])O[H])O2)O1 |
| TCMBANKIN047293 | foliosidine | COMTYGQAMQKQCJ-UHFFFAOYSA-N; 8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one; 2520-38-9; 8-(2,3-DIHYDROXY-3-METHOXYBUTOXY)-4-METHOXY-1-METHYLQUINOLIN-2-ONE; CHEMBL1257061; DTXSID70585157; ACM2520389 | C16H21NO5 | 307.34 g/mol | CC(C)(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)O |
| TCMBANKIN049669 | sesamolin | 5-[4-(2H-1,3-benzodioxol-5-yloxy)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole; 1,3-Benzodioxole, 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-; 1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3a alpha,4alpha,6a alpha))-; ZZMNWJVJUKMZJY-UHFFFAOYSA-N; 5-[4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole; 2-(3,4-Methylenedioxyphenoxy)-6-(3,4-methylenedioxyphenyl)-cis-3,7-dioxabicyclo[3.3.0]octane; tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-1h,3h-furo[3,4-c]furan; 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, [1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-; 1H,3H-Furo[3,4-c]furan, tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-, (1R,3aR,4S,6aR)-; 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, (1S,3aR,4R,6aR)-; AI3-20978; 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole; CTK5J7838; 526-07-8; 1H,3H-Furo[3,4-c]furan, 1,3-benzodioxole deriv.; 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole; (+)-sesamolin; SCHEMBL163697; AC1LBNZK; 5-[[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole | C20H18O7 | 370.35 | C1C2C(COC2OC3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
| 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] | |
| TCMBANKIN057966 | CIR | C00327; EINECS 206-759-6; (2S)-2-amino-5-(carbamoylamino)pentanoic acid; (2S)-2-amino-5-ureidopentanoic acid; C7629_SIGMA; (2S)-2-amino-5-ureido-pentanoic acid; Citrulline, L-; alpha-Amino-delta-ureidovaleric acid; NSC 27425; (2S)-2-amino-5-(aminocarbonylamino)pentanoic acid; Ornithine, N5-(aminocarbonyl)-; N5-(Aminocarbonyl)ornithine; Ornithine, N5-carbamoyl-, L- (8CI); N(5)-(aminocarbonyl)-L-ornithine; SBB012374; N(delta)-Carbamylornithine; N(5)-carbamoyl-L-ornithine; (2S)-2-amino-5-ureido-valeric acid; (S)-2-Amino-5-ureidopentanoic acid; SMP1_000146; 2-Amino-5-ureidovaleric acid; NCGC00142602-01; L-2-Amino-5-ureidovaleric acid; delta-Ureidonorvaline; CHEBI:16349; citrulline; AB1007188; AC1LCUKE; d-citrullin; AK-58500; (R)-2-Amino-5-ureidopentanoic acid; MFCD00216469; KB-49607; D-Citruline; AX8031821; D-Ornithine,N5-(aminocarbonyl)-; W-204205; H-D-Orn(carbamoyl)-OH; (2R)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid; DTXSID90348463; MolPort-003-928-964; 594C519; H-D-Cit-OH; D-Citrulline, >=99.0%; CTK4C0068; N(5)-carbamoyl-D-ornithine; AmbotzHAA1014; AJ-33795; AB0012765; ST24035348; ACM13594520; D-Citrulline; A807006; PubChem17499; TC-108738; J-300336; CHEBI:49007; SC-10122; C6H13N3O3; SCHEMBL437142; ANW-19993; AM82460; AS-12983; GTPL4683; ZINC2166829; FT-0659369; 13594-51-9; B-7191; D0V2DT; (2R)-2-amino-5-(carbamoylamino)pentanoic acid | C6H13N3O3 | 175.19 g/mol | C(CC(C(=O)O)N)CNC(=O)N |
| TCMBANKIN058013 | 4-methylene-2-pyrrolidinecarboxylic acid | 4-methylene-dl-proline | C6H9NO2 | 127.14 | C=C1CC(NC1)C(=O)O |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058186 | FA | F8798_SIAL; IDI1_000494; SPECTRUM1502020; KBio1_000494; Folsaure; Acifolic; Prestwick3_000627; Folipac; PGA (VAN); Folsaeure; InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s; Novofolacid [Canada]; KBio2_006997; Folaemin [Netherlands]; Foldine [France]; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; Liver Lactobacillus casei factor; ARONIS014410; Cytofol; Folicet; Foliamin; Folcidin (VAN); Folcidin; Nifolin [Denmark]; Pteroylmonoglutamic acid; L-glutamic acid, N-[4-[[(2-amino-4,8-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-; N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid; Antianemia factor; KBioSS_001861; Folico (Italy); Spectrum4_001751; 4-Pteridinol, 2-amino-6-((p-((1,3-dicarboxypropyl)carbamoyl)anilino)methyl)-; C00504; CAS-59-30-3; L-Glutamic acid, N-(4-((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-; BPBio1_000654; Pteroylmonoglutamate; Pteroyl-L-monoglutamic acid; DivK1c_000494; Folbal; Glutamic acid, N-(p-(((2-amino-4-hydroxypyrimido(4,5-b)pyrazin-6-yl)methyl)amino)benzoyl)-, L; Folic acid [BAN:INN:JAN]; FOL; KBio2_001861; BSPBio_002338; Glutamic acid, pteroyl-, l-; BSPBio_000594; F8758_SIGMA; Vitamin B11; N-(4-(((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-L-glutamic acid; Vitamin M; CHEBI:27470; KBio2_004429; Folettes; NCGC00016265-01; Vitamin B9; 47620_FLUKA; (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid; Factor U; Acidum folicum [INN-Latin]; Spectrum2_001459; Folate; Vitamin Be; Incafolic; Acide folique [INN-French]; Pteroyl-L-glutamic acid; Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, L-; HSDB 2002; N-(p-(((2-Amino-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid; D00070; Spectrum3_000749; Folasic (Australia); Mittafol; SMP2_000137; N-(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid; NINDS_000494; Kyselina listova [Czech]; F8890_SIGMA; 59-30-3; AI3-26387; Acido folico [INN-Spanish]; NCGC00142391-01; (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; Folsav; Folic acid (JP15/USP/INN); KBioGR_002222; Folicet (TN); Folan; CCRIS 666; PteGlu; KBio3_001558; EINECS 200-419-0; Mission Prenatal; Folacid; Spectrum_001381; Folic acid; L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzo- yl)-; Vitamin Bc; Spectrum5_000602; 33609-88-0; SDCCGMLS-0066738.P001; (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid; SPBio_001357; N-(4-((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid; Folacin; N-pteroyl-L-glutamic acid; Folina (Italy); 01769_FLUKA; Prestwick_230; Acfol (Spain); F7876_SIAL; (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; Folvite; Millafol; Facid | C19H19N7O6 | 441.4 | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| TCMBANKIN058261 | P-hydroxy phenol;hydroquinone | KBioSS_002237; p Benzendiol; CHEBI:17594; Hydroquinone 4%, tretinoin 0.05%, fluocinolone acetonide 0.01%; C15603; Derma-Blanch; para-Dioxybenzene; Eldoquin (TN); hydroquinol; p-Dioxobenzene; EU-0100577; AIDS-000964; Dihydroxybenzene; p-Hydroquinone; HSDB 577; para-Dihydroxybenzene; 1,4-Dihydroxybenzene; EINECS 204-617-8; Hydroquinone (USP); ST5214344; Benzohydroquinone; 1,4-Dihydroxy-benzol; Phiaquin; Solaquin Forte; Hydroquinone polymer; NCGC00090880-01; Fluocinolone acetonide mixture with hydroquinone and tretinoin; D00073; AIDS-220864; 1,4-benzenediol; Melanex; Diak 5; H17902_SIAL; Eldoquin; Fluocinolone acetonide, hydroquinone, and tretinoin; 1,4-Diidrobenzene [Italian]; Spectrum2_001672; Idrochinone [Italian]; c0091; H9003_SIGMA; Dihydroquinone; InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8; KBio2_004805; NCI-C55834; Eldopaque Forte; KBio2_002237; 8027-02-9; Hydroquinone tablets; Quinol; UN2662; CCRIS 714; 940291-89-4; p-Benzenediol; NSC 9247; HE 5; Eldoquin Forte; Spectrum4_000633; BSPBio_002291; NCGC00090880-04; para-Hydroquinone; Lopac0_000577; KBioGR_001246; 123-31-9; AIDS220864; Arctuvin; Spectrum5_001430; .beta.-Quinol; Idrochinone; Hydroquinone [UN2662] [Poison]; C00530; WLN: QR DQ; ZINC00001541; .alpha.-Hydroquinone; Spectrum_001757; p-Hydroxyphenol; 1,4-Dihydroxy-benzeen; Hydroquinone/tretinoin/fluocinolone cream; SPECTRUM1504237; Benzene-1,4-diol; MLS000069815; Triluma; p-Dioxybenzene; p-Dihydroxybenzene; 1,4-Dihydroxybenzen; SpecPlus_000769; H3660_SIAL; Tecquinol; SMR000059154; Hydrochinon; 1,4-Dihydroxybenzen [Czech]; Tequinol; Tretinoin, hydroquinone, and fluocinolone acetonide; HT1014_SIGMA; AIDS000964; NCGC00015523-01; 1,4-Diidrobenzene; AI3-00072; Usaf ek-356; Hydroquinole; 1,4-Dihydroxy-benzeen [Dutch]; 57534-13-1; Tenox HQ; SPBio_001883; DivK1c_006865; Black and White Bleaching Cream; KBio1_001809; Hydroquinone / tretinoin / fluocinolone; Spectrum3_000656; HYDROQUINONE; Artra; 1,4-Dihydroxy-benzol [German]; Hydrochinon [Czech, Polish]; KBio3_001511; 1,4-Dihydrobenzoquinone; LS-187959; 4-Hydroxyphenol; NCGC00090880-03; SCHEMBL4934871; HYDROP; KBio2_007373; Lopac-H-9003; Pyrogentistic acid; Benzene, p-dihydroxy-; 1,4-Hydroxybenzene; Benzoquinol; Hidroquinone; NSC9247; Eldopaque; para-Hydroxyphenol | C6H6O2 | 110.11 g/mol | C1=CC(=CC=C1O)O |
| TCMBANKIN058288 | catechol | 430749_ALDRICH; Catechin (phenol); Pyrokatechin [Czech]; NCGC00015283-01; Catechol-UL-14C; NCI-C55856; CI Oxidation Base 26; CHEBI:18135; benzene-1,2-diol; C15571; 120-80-9; InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8; C9510_SIAL; Fouramine PCH; 135011_SIAL; Lopac-C-9510; 2-hydroxyphenol; NSC 1573; NCGC00091262-01; Fourrine 68; o-Diphenol; C.I. Oxidation Base 26; o-Dioxybenzene; C00090; ST5214346; (1,2,3,4,5,6-(1)?C?)BENZENE-1,2-DIOL; AB-131/40235236; Lopac0_000280; ortho-Benzenediol; Catechol (phenol); ortho-Hydroquinone; ZINC00330145; 16474-90-1; pyrocatechol; benzenediol; Brenzcatechin; 12385-08-9; C01785; EINECS 204-427-5; EU-0100280; nchembio801-comp10; o-Dihydroxybenzene; Durafur Developer CFouramine PCH; o-Hydroxyphenol; Phthalhydroquinone; 16474-89-8; Catechol-pyrocatechol; CCRIS 741; ACM19481108; AI3-03995; Pyrocatechinic acid; CI 76500; Durafur developer C; o-Phenylenediol; 1,2-dihydroxybenzene; ortho-Hydroxyphenol; Oxyphenic acid; BRN 0471401; c0097; pyrocatechol-ul-14C; CAQ; 37349-32-9; ortho-Dihydroxybenzene; AIDS-108194; C3561_SIAL; o-Benzenediol; ortho-Dioxybenzene; Katechol [Czech]; Pelagol Grey C; Pyrokatechol [Czech]; AIDS108194; Pyrocatechinic acidPyrocatechol; WLN: QR BQ; Pyrocatechine; 1,2-benzenediol; o-Hydroquinone; CATECHOL; Benzene, o-dihydroxy-; pyrocatechin; ortho-Phenylenediol; HSDB 1436; C9593_SIGMA; NSC1573; C.I. 76500;pyrocatechol;o-hydroquinone;o-phenylenediol;1,2-benzenediol | C6H6O2 | 110.11 g/mol | C1=CC=C(C(=C1)O)O |
| TCMBANKIN058567 | (- )-asarinin | L-asarinin;ZINC05223929;5-[(1R,3aS,4S,6aS)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-1,3-benzodioxole; ZINC03874953; NCGC00142464-01 | C20H18O6 | 354.4 g/mol | C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6 |
| TCMBANKIN058706 | betulin | AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol | C30H50O2 | 442.7g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| 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 |
| TCMBANKIN058908 | Butanedione | diacetyl; 2,3-Butanedione; biacetyl; 2,3-Butadione; 2,3-diketobutane; dimethylglyoxal; WLN: 1VV1; 4-01-00-03644 (Beilstein Handbook Reference); EU-0100387; Diacetyl (natural); NSC8750; W237035_ALDRICH; 2,3-Butanedione (8CI,9CI); Butanedione; 2,3-butanedione; UN2346; SGCUT00113; InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H; Lopac-D-3634; 11038_FLUKA; CCRIS 827; EINECS 207-069-8; dimethyl diketone; ZINC01532732; 151677-70-2; to_000005; 625-34-3; Butanal, 3-oxo-; FEMA No. 2370; NCGC00015336-01; DIACETYL; Butane-2,3-dione; CHEBI:16583; NSC 8750; Butanedione [UN2346] [Flammable liquid]; LS-116; W237000_ALDRICH; 31530_FLUKA; Lopac0_000387; Butanedione [UN2346] [Flammable liquid]; BRN 0605398; 2,3-dioxobutane; butadione; 431-03-8; C00741; NCGC00090746-01; AI3-03313; 2,3-butandione; HSDB 297; Acetoacetaldehyde; B85307_ALDRICH; Dimethyl glyoxal; Glyoxal, dimethyl- | CH3COCOCH3 | 86.09 g/mol | CC(=O)C(=O)C |
| TCMBANKIN059070 | BU3 | 237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- | C4H10O2 | 90.12 | CC(C(C)O)O |
| TCMBANKIN059086 | Phenol, 2,4-bis(1,1-dimethylethyl) | phenol,2,4-bis(1,1-dimethylethyl);Phenol, 2,4-di(1,1-dimethylethyl)-; Prodox 146A-85X; WLN: 1X1&1&R BQ CX1&1&1; 137731_ALDRICH; ZINC01081075; 96-76-4; EINECS 202-532-0; 2,4-DI-T-BUTYLPHENOL; 1-Hydroxy-2,4-di-tert-butylbenzene; InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H; Phenol, 2,4-di-tert-butyl-; Prodox 146; NSC174502; 4-06-00-03493 (Beilstein Handbook Reference); 2,4-ditert-butylphenol; NSC 174502; ST5308551; 2,4-Di-tert-butylphenol; Phenol, 2,4-bis(1,1-dimethylethyl)-; NCGC00164059-01; 50356-26-8; 34785_FLUKA; BRN 1910383;2,4-di-tert-butylphenol;Antioxidant No. 33 | C14H22O | 206.32 g/mol | CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C |
| TCMBANKIN059144 | ergosta-4,6,8(14),22-tetraen-3-one | ergosta-4,6,8(14),22,tetraen-3-one; AJ-54768; (22E)-Ergosta-4,6,8(14),22-tetren-3-one; (22e,24r)-ergosta-4,6,8(14),22-tetraen-3-one; MolPort-023-298-990; Ergosta-4,6,8(14),22-tetraen-3-one, (22E)-; Ergosta-4,6,8(14),22-tetraen-3-one; (1R,9AR,9BR,11AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-9A,11A-DIMETHYL-1H,2H,3H,8H,9H,9BH,10H,11H-CYCLOPENTA[A]PHENANTHREN-7-ONE; CHEBI:69431; BG01104490; 19254-69-4; CHEMBL3588948; UNII-RI51Y55U8P; Ergone; (22E)-Ergosta-4,6,8(14),22-tetraen-3-one; AKOS022184779; SCHEMBL6365010; (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; AK104269; AC1O5V9Q; 24-methylcholesta-4,6,8(14),22-tetraen-3-one; ZINC5761087; W2324; RI51Y55U8P; 27625-48-5; ergone; (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one; 19254-69-4; Ergosta-4,6,8(14),22-tetraen-3-one, (22E)- | C28H40O | 392.6 g/mol | CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C3CCC12C)C |
| TCMBANKIN059160 | Isobutyral | 2-Methylpropionaldehyde; W222003_ALDRICH; 240788_ALDRICH; FEMA No. 2220; W222011_ALDRICH; Isobutyraldehyde (natural); UN2045; NCGC00091788-01; Isopropylformaldehyde; Propionaldehyde, 2-methyl-; CCRIS 1101; ZINC01866952; 26140-46-5; 320358_ALDRICH; .alpha.-Methylpropionaldehyde; 2-METHYL-PROPANAL; Isobutanal; Valine aldehyde; Isobutyraldehyd; Isopropylaldehyde; Isopropyl aldehyde; Isobutyraldehyde or isobutyl aldehyde [UN2045] [Flammable liquid]; EINECS 201-149-6; Isobutyraldehyd [Czech]; 2-Methyl-1-propanal; 78-84-2; 2-Methylpropanal; ISOBUTYRALDEHYDE; Isobutaldehyde; 538205_ALDRICH; InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H; Isopropyl formaldehyde; Propanal, 2-methyl-; AI3-15311; NSC6739; Isobutyric aldehyde; Methylpropanal; Isobutyryl aldehyde; WLN: VHY1&1; ISO-BUTYRALDEHYDE; alpha-Methylpropionaldehyde; Methyl propanal; 418110_ALDRICH; NSC 6739; HSDB 614; NCI-C60968; Isobutylaldehyde | C4H8O | 72.11 | CC(C)C=O |
| TCMBANKIN059195 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| 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 |
| TCMBANKIN059266 | 3-Methylbutyl acetate | EINECS 204-662-3; 123-92-2; Acetic acid, isopentyl ester; Isoamylester kyseliny octove [Czech]; 3-Methylbutyl acetate; 2-Methylbutyl ethanoate; 3-Methyl-1-butyl acetate; Isoamyl acetate (natural); Isoamyl ethanoate; Isoamyl acetate; Acetic acid, 3-methylbutyl ester; NSC9260; 29732-50-1; 3-Methyl-1-butanol, acetate; CCRIS 6051; 306967_ALDRICH; FEMA No. 2055; Amyl acetate, common; Amylacetic ester; C12296; 3-Methyl-1-butanol acetate; W205532_ALDRICH; beta-Methylbutyl acetate; ST5214469; AI3-00576; Isopentyl ethanoate; FEMA Number 2055; Isoamyl acetate; NCGC00091500-01; HSDB 1818; BRN 1744750; WLN: 1Y1 & 2OV1; 79857_FLUKA; 4-02-00-00157 (Beilstein Handbook Reference); LS-687; ZINC00388082; acetic acid isopentyl ester; In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal; NSC 9260; 112674_ALDRICH; Acetic acid 3-methylbutyl ester; 1-Butanol, 3-methyl-, acetate; W205508_ALDRICH; Isopentyl alcohol, acetate; 3-Methylbutyl ethanoate; Isopentyl acetate; Iso-amyl acetate; acetic acid isoamyl ester; Basil acetate ester; I-Amyl acetate | C7H14O2 | 130.18 g/mol | CC(C)CCOC(=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 |
| TCMBANKIN059677 | 1,2,3,4-tetramethylbenzene | C10H14 | 134.22 g/mol | CC1=C(C(=C(C=C1)C)C)C | |
| 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 | |
| TCMBANKIN059860 | m-xylene | C8H10 | 106.17 g/mol | CC1=CC(=CC=C1)C | |
| TCMBANKIN059901 | p-xylene | C8H10 | 106.17 | CC1=CC=C(C=C1)C | |
| 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 | |
| TCMBANKIN059917 | methylbenzol | C6H5CH3 | 92.14 g/mol | CC1=CC=CC=C1 | |
| TCMBANKIN059921 | o- Cymene | C10H14 | 134.22 g/mol | CC1=CC=CC=C1C(C)C | |
| TCMBANKIN060040 | 2,3,5-trimethyl-pyrazine;TRIMETHYLPYRAZINE | C7H10N2 | 122.17 | CC1=CN=C(C(=N1)C)C | |
| TCMBANKIN060062 | Pyrazine, methyl- | C5H6N2 | 94.11 g/mol | CC1=NC=CN=C1 | |
| TCMBANKIN060187 | platycodin d2 | C57H92O28 | 1225.3 g/mol | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O | |
| TCMBANKIN060210 | campneoside i | C30H38O16 | 654.6 g/mol | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCC(C4=CC(=C(C=C4)O)O)OC)O)O)O)O | |
| TCMBANKIN060556 | peduneuloside | C36H58O10 | 650.84 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O | |
| TCMBANKIN060624 | 2-butanal | C4H8O | 72.11 g/mol | CCC(=O)C | |
| TCMBANKIN060636 | ethylpropionate | C5H10O2 | 102.13 g/mol | CCC(=O)OCC | |
| TCMBANKIN060726 | 1-ethyl-2,4-dimethylbenzene | C10H14 | 134.22 | CCC1=C(C=C(C=C1)C)C | |
| TCMBANKIN060772 | 2-methyl pentane | C6H14 | 86.18 g/mol | CCCC(C)C | |
| TCMBANKIN060808 | 5,7-dimethylundecane | C13H28 | 184.36 g/mol | CCCCC(C)CC(C)CCCC | |
| TCMBANKIN060809 | undecane,4,7-dimethyl | C13H28 | 184.36 g/mol | CCCCC(C)CCC(C)CCC | |
| TCMBANKIN060850 | 2-methyl-Heptane | C8H18 | 114.23 g/mol | CCCCCC(C)C | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060896 | Heptan | C7H16 | 100.2 | CCCCCCC | |
| TCMBANKIN060901 | 4,6-dimethyl dodecane | C14H30 | 198.39 g/mol | CCCCCCC(C)CC(C)CCC | |
| TCMBANKIN060942 | nonane | C9H20 | 128.26 | CCCCCCCCC | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060966 | gondoic acid | C20H38O2 | 310.5 g/mol | CCCCCCCCC=CCCCCCCCCCC(=O)O | |
| TCMBANKIN061003 | Dodekan,dodecane,n-dodecane | C12H26 | 170.33 g/mol | CCCCCCCCCCCC | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061118 | behenic acid | C22H44O2 | 340.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061128 | n-tetracosanoic acid | C24H48O2 | 368.64 g/mol | CCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061194 | 1-hexanol | C6H14O | 102.17 g/mol | CCCCCCO | |
| TCMBANKIN061198 | 1- Pentanol | C5H12O | 88.15 g/mol | CCCCCO | |
| TCMBANKIN061245 | Acetic ether | C4H8O2 or CH3COOC2H5 | 88.11 g/mol | CCOC(=O)C | |
| TCMBANKIN061444 | Pedalitin | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-; FLAVONE, 3',4',5,6-TETRAHYDROXY-7-METHOXY-; 5,6,3',4'-Tetrahydroxy-7-methoxyflavone; BRN 1296526; 3',4',5,6-Tetrahydroxy-7-methoxyflavone; pedalitin; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-chromenone; 22384-63-0; 5-18-05-00543 (Beilstein Handbook Reference); C10119; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-chromone; 5,6,3',4'-tetrahydroxy-7-methoxyflavone | C16H12O7 | 316.26 | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O |
| TCMBANKIN061514 | Benzenemethanol,3,4-dimethoxy | Veratryl alcohol; 3,4-Dimethoxyphenylmethyl alcohol; NSC6317; D133000_ALDRICH; (3,4-dimethoxyphenyl)methanol; 3,4-Dimethoxybenzyl alcohol; EINECS 202-212-0; 38700_FLUKA; AI3-24181; Veratryl alcohol (8CI); Benzenemethanol, 3,4-dimethoxy-; NSC 6317; ST5406387; 93-03-8; ZINC00388569 | C9H12O3 | 168.19 g/mol | COC1=C(C=C(C=C1)CO)OC |
| TCMBANKIN061939 | MSM | Thiobis(methane); Dimethyl sulfide [UN1164] [Flammable liquid]; (methylthio)methane; EINECS 200-846-2; Dimethyl thioether; Methane, thiobis-; Dimethylsulfid [Czech]; 2-Thiapropane; [SMe2]; W274615_ALDRICH; UN1164; 31533-72-9; HSDB 356; InChI=1/C2H6S/c1-3-2/h1-2H; BRN 1696847; REDUCED-DMSO; Dimethyl sulfide (natural); dimethylsulfide; AI3-25274; W274607_ALDRICH; (METHYLSULFANYL)METHANE; thiobismethane; 41625_FLUKA; 274380_ALDRICH; c0237; methylsulfanylmethane; CHEBI:17437; Methanethiomethane; Methyl sulphide; dimethyl sulphide; 75-18-3; Methyl thioether; 4-01-00-01275 (Beilstein Handbook Reference); Methyl monosulfide; Methylthiomethyl radical; Exact-S; 471577_ALDRICH; W274623_ALDRICH; Sulfure de methyle [French]; ZINC06072460; dimethyl sulfide; C00580; 2-Thiopropane; Methylthiomethane; reduced dimethyl sulfoxide; Dimethyl monosulfide; Dimetyl sulfide; FEMA No. 2746; Methyl sulfide | C2H6S | 62.13 | CSC |
植物对应的疾病
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植物对应的靶点
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