|
TCMBANKIN004668 |
terchebin |
|
C41H30O27 |
954.66 |
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
|
TCMBANKIN004890 |
Isobutyryl shikonin |
52438-12-7; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; ZINC1702730; (1R)-1-(5,8-DIHYDROXY-1,4-DIOXONAPHTHALEN-2-YL)-4-METHYLPENT-3-EN-1-YL 2-METHYLPROPANOATE; CTK5J8655; MFCD00144512; (1r)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate; SCHEMBL3298557; C17414; C-56533; 2-methylpropionic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; Isobutylshikonin; CHEBI:81070; AC1LA0S8; Isobutyrylshikonin; FT-0770577; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 2-methylpropanoate; isobutyryl shikonin; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate; 2-methylpropanoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; isobutyrylshikonin |
C20H22O6 |
358.4 g/mol |
CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN007498 |
arnebinone |
|
C18H22O4 |
302.36 |
CC(=C)C1CCC(C2=C1C(=O)C(=C(C2=O)OC)OC)(C)C=C |
|
TCMBANKIN007619 |
intermedine |
AC1NSWV1; (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl) 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate |
C15H25NO5 |
299.36 g/mol |
CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O |
|
TCMBANKIN007801 |
(2R)-3-oxo-2-phenylbutanenitrile |
ZINC00080804; (2R)-3-keto-2-phenyl-butyronitrile; (2R)-3-oxo-2-phenyl-butanenitrile |
C10H9NO |
159.18 |
|
|
TCMBANKIN009841 |
5-methyl-propionaldehyde |
|
|
|
|
|
TCMBANKIN010749 |
alkannin angelate |
|
C21H22O6 |
|
CC=C(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN014382 |
1-methoxyacetylshikonin |
|
C19H20O6 |
344.36 |
|
|
TCMBANKIN014952 |
SENECIC ACID |
38880_FLUKA; LMFA01020097; ST5207953; EINECS 208-782-7; beta,beta-Dimethylacrylic acid; beta-Methylcrotonic acid; NSC 2549; BRN 1720305; NSC2549; Senecioic acid; D138606_ALDRICH; beta,beta-Dimethacrylic acid; 2-Butenoic acid, 3-methyl-; beta,beta-dimethyl acrylic acid; NSC97179; InChI=1/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7; WLN: QV1UY1&1; AI3-23985; AE-848/32066036; 3-Methyl-2-butenoic acid; 3-methylbut-2-enoic acid; FEMA No. 3187; Kyselina 3-methyl-2-butenova [Czech]; 3-Methylcrotonic acid; 541-47-9; .beta.-Methylcrotonic acid; .beta.,.beta.-Dimethacrylic acid; Crotonic acid, 3-methyl-; .beta.,.beta.-Dimethylacrylic acid; 4-02-00-01555 (Beilstein Handbook Reference); beta-Methylcrotonic acid;; W318701_ALDRICH; 3,3-Dimethylacrylic acid; CHEBI:37127 |
C5H8O2 |
100.12 |
CC(=CC(=O)O)C |
|
TCMBANKIN015120 |
3-(1,1-dimethyl allyl) herniarin |
7-Methoxy-3-(2-methylbut-3-en-2-yl)-1-benzopyran-2-one; 3-(1,1-Dimethyl allyl) herniarin; 3-(1,1-Dimethyl-2-propenyl)-7-methoxy-2H-1-benzopyran-2-one; AC1L4BBZ; 3-(1,1-Dimethylallyl)-7-methoxycoumarin; 7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one; 7-methoxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one; CTK1A5922; 3-(1,1-Dimethylallyl)herniarin; 3-(1,1-dimethyl allyl)herniarin; DTXSID70175138; 20958-63-8 |
C15H16O3 |
244.28 g/mol |
CC(C)(C=C)C1=CC2=C(C=C(C=C2)OC)OC1=O |
|
TCMBANKIN015886 |
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
|
C30H50 |
410.72 |
|
|
TCMBANKIN015929 |
Ethyl tetracosanate |
Ethyl tetracosanoate; 24634-95-5; NSC159289; tetracosanoic acid ethyl ester; lignoceric acid ethyl ester |
C26H52O2 |
396.69 |
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN017576 |
Alkannan |
5,8-dihydroxy-2-isohexylnaphthalene-1,4-dione; ZINC13335177; alkannan; 517-90-8; DTXSID90199654; FZS19WML2L; UNII-FZS19WML2L; 5,8-dihydroxy-2-isohexyl-1,4-naphthoquinone; SCHEMBL12810826; ACM517908; 5,8-dihydroxy-2-isohexyl-naphthalene-1,4-dione; AC1NSVEV; 5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione |
C16H18O4 |
274.31 |
CC(C)CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN019228 |
lithospermidin A |
[(E)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpent-2-enyl] 2-methylbutanoate; AC1NSXLW; lithospermidin a |
C21H24O7 |
388.41 |
CCC(C)C(=O)OC(C=CC(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN020376 |
ETHYL MARGARATE |
14010-23-2; Ethyl n-heptadecanoate; NSC137831; Ethyl heptadecanoate; Heptadecanoic acid, ethyl ester; heptadecanoic acid ethyl ester; EINECS 237-822-6 |
C19H38O2 |
298.5 |
CCCCCCCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN021286 |
isobyakangelicol |
C16914; Anhydrobyakangelicin; AC1NSWYH; 4-methoxy-9-(3-methyl-2-oxobutoxy)furo[3,2-g]chromen-7-one; Isobyakangelicol; CHEBI:80792 |
C17H16O6 |
316.3 g/mol |
CC(C)C(=O)COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2 |
|
TCMBANKIN022751 |
Lithospermidin B |
[(E)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpent-2-enyl] 3-methylbutanoate; AC1NSXLZ; 83415-79-6; lithospermidin b |
C21H24O7 |
388.4 g/mol |
CC(C)CC(=O)OC(C=CC(C)(C)O)C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O |
|
TCMBANKIN025942 |
arnebinol |
|
C16H20O2 |
244.33 |
CC1=CCC2=C(C=CC(=C2)OCC(=CCC1)C)O |
|
TCMBANKIN026070 |
Shinjulactone K |
94451-22-6; Picrasane-1,16-dione, 12-(actyloxy)-2,12-dihydroxy-, (2.alpha.,11.alpha.,12.alpha.); AIDS-026415; Picrasane-1,16-dione, 12-(actyloxy)-2,12-dihydroxy-, (2alpha,11alpha,12alpha); shinjulactone k; AIDS026415 |
C22H32O7 |
408.49 |
CC1CC(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(=O)O3)C)OC(=O)C)O)C)C)O |
|
TCMBANKIN026186 |
Butyric acid, 3-hydroxy-3-methyl- |
|
C17H24O3 |
276.37 |
CC(C)(CC(=O)O)O |
|
TCMBANKIN026434 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-hydroxy-3-methyl-butanoate; 3-hydroxy-3-methylbutanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; 3-hydroxy-3-methyl-butyric acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester |
|
388.45 |
|
|
TCMBANKIN026482 |
Docosyl caffeate |
docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; ST24046665; DOCOSYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE; MolPort-023-298-972; ZINC73220104; AKOS022184902; 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, docosyl ester, (2E)-; 3,4-Dihydroxycinnamic acid docosyl ester; Docosyl caffeate, analytical standard; W2091; docosyl caffeate; 28593-92-2; 3,4-Dihydroxybenzeneacrylic acid docosyl ester; CHEMBL1933863; SCHEMBL883452; 9375AF; AK104300; Docosyl 3-(3,4-dihydroxyphenyl)acrylate; Caffeic acid docosyl ester; 50432-89-8; AC1NSUY6 |
C31H52O4 |
488.74 |
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O |
|
TCMBANKIN027504 |
Totarol |
532657_ALDRICH; 14-Isopropylpodocarpa-8,11,13-trien-13-ol; BCBcMAP01_000081; SMP1_000215; (4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol; (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol; totarol; 4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol; 4bS-trans-8,8-Trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropyl-phenanthren-2-ol |
C20H30O |
286.45 |
CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)O |
|
TCMBANKIN028686 |
Methyl nervonate |
15-Tetracosenoic acid, methyl ester, (Z)-; EINECS 220-352-0; Methyl (Z)-tetracos-15-enoate; 2733-88-2; (Z)-tetracos-15-enoic acid methyl ester |
C25H48O2 |
380.65 |
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC |
|
TCMBANKIN030255 |
Ethyl senecioate |
Ethyl beta,beta-dimethylacrylate; 3,3-Dimethylacrylic acid ethyl ester; NCIOpen2_002201; Ethyl isopropylidene acetate; AI3-32913; Ethyl isopropylideneacetate; EINECS 211-319-1; Ethyl beta-methylcrotonate; Ethyl .beta.,.beta.-dimethylacrylate; NSC 61853; 194328_ALDRICH; Ethyl 3-methyl-2-butenoate; NSC99208; NSC61853; Ethyl isobutenoate; Ethyl 3,3-dimethylacrylate; Ethyl dimethylacrylate; 638-10-8; ethyl 3-methylbut-2-enoate; NSC 99208; Crotonic acid, 3-methyl-, ethyl ester; Ethyl 3-methylcrotonate; 3-methylbut-2-enoic acid ethyl ester; 2-Butenoic acid, 3-methyl-, ethyl ester; 4-02-00-01556 (Beilstein Handbook Reference); BRN 1744854 |
C7H12O2 |
128.17 |
CCOC(=O)C=C(C)C |
|
TCMBANKIN030598 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate |
3-methylbutanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbutanoate; 3-methylbutyric acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate |
C21H24O6 |
372.41 |
|
|
TCMBANKIN032964 |
alpha-methyl-n-butylshikonin |
|
C21H28O5 |
360.4 g/mol |
CCCCC1(C(C(=O)C2=C(C=CC(=C2C1=O)O)O)C)C(CC=C(C)C)O |
|
TCMBANKIN033067 |
ETHYL DOCOSANOATE |
Docosanoic acid, ethyl ester; docosanoic acid ethyl ester; EINECS 227-616-4; behenic acid ethyl ester; 5908-87-2 |
C24H48O2 |
368.64 |
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN034049 |
[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate |
2-methylpropanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; 2-methylpropionic acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 2-methylpropanoate |
|
358.42 |
|
|
TCMBANKIN034697 |
tert-o-methyl byakangelicin |
tert-o-methylbyakangelicin; AC1NSY8Y; 9-(2-hydroxy-3-methoxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one; 4-Methoxy-9-(2-hydroxy-3-methoxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one; HMS3327O17 |
C18H20O7 |
348.3 g/mol |
CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)OC |
|
TCMBANKIN036297 |
6-Hydroxykynurenate |
2-Quinolinecarboxylic acid, 4,6-dihydroxy-; 3778-29-8; C05663; 6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid; C08480; 6-Hydroxykynurenic acid; 6-hydroxy-4-keto-1H-quinoline-2-carboxylic acid; Quinaldic acid, 4,6-dihydroxy- |
C10H7NO4 |
205.17 |
C1=CC2=C(C=C1O)C(=O)C=C(N2)C(=O)O |
|
TCMBANKIN036539 |
Ethyl oleate (NF) |
ethyl (Z)-octadec-9-enoate; (Z)-octadec-9-enoic acid ethyl ester; 75100_FLUKA; 268011_ALDRICH; Oleic acid ethyl ester; 75101_FLUKA; D04090; 317675_ALDRICH |
C20H38O2 |
310.51 |
CCCCCCCCC=CCCCCCCCC(=O)OCC |
|
TCMBANKIN036829 |
ursolic acid |
ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 |
C30H48O3 |
456.7 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
|
TCMBANKIN037146 |
NP02140176-38-K |
|
|
|
|
|
TCMBANKIN037201 |
Shikonofuran A |
[1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] acetate; AC1NT0DL; 85022-66-8; MolPort-039-339-080; Shikonofuran A |
|
316.3 g/mol |
|
|
TCMBANKIN037277 |
Oleanolic acid |
Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid |
C30H48O3 |
457 |
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C(
[H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
|
TCMBANKIN038453 |
β,β-dimethylacrylshikonin |
Dmask; CHEBI:81071; beta,beta-Dimethylacrylshikonin; ZINC2014578; (1R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methyl-2-butenoate, AldrichCPR; MFCD00143687; beta,beta-dimethylacrylshikonin; 24502-79-2; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate; Dimethylacrylshikonin; b,b-Dimethylacrylshikonin; Ambap24502-79-2; AK115142; Isoarnebin I; CCG-208399; AC1LA0S5; ZINC102967580; SCHEMBL2876200; (1R)-1-(5,8-DIHYDROXY-1,4-DIOXONAPHTHALEN-2-YL)-4-METHYLPENT-3-EN-1-YL 3-METHYLBUT-2-ENOATE; KS-000012LI; [1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate; 2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester; FT-0774263; CJ-31230; [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate; MolPort-027-835-870; (beta,beta-Dimethylacryl)shikonin; C17415; AKOS016010086; Shikonin beta,beta-dimethylacrylate; ST24046001; CJ-31231; AJ-32569; 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)- |
C21H22O6 |
370.4 g/mol |
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C |
|
TCMBANKIN038730 |
Arnebifuranone |
AC1O6QVB; Isoarnebifuranone; 5-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione |
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316.3 g/mol |
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TCMBANKIN039015 |
Rhizonone |
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254.28 g/mol |
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TCMBANKIN039088 |
Acetylalkannin |
ZINC16954710; CHEMBL112415; SCHEMBL4289438; 11-O-Acetylalkannin; Acetylalkannin |
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330.3 g/mol |
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TCMBANKIN039172 |
Tetracosyl caffeate |
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516.8 g/mol |
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TCMBANKIN039750 |
α-Acetoxyisovalerylalkannin |
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TCMBANKIN040652 |
O9-Angeloylretronecine |
AC1NSXBX; [(7R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate |
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TCMBANKIN041265 |
β,β-Dimethylacrylalkannin |
beta,beta-dimethylacrylalkannin |
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370.4 g/mol |
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TCMBANKIN041766 |
Shikonofuran C |
Shikonofuran C; 85022-64-6; shikonofuran c; AC1NT0DR; BDBM50363752; [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbutanoate; CHEMBL1946217 |
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358.43 |
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TCMBANKIN042000 |
1-methyl-acetylshikonin |
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CC(=CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)O)OC(=O)C)C |
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TCMBANKIN042582 |
np02140176-42-k |
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TCMBANKIN042696 |
NP02140176-39-Na |
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TCMBANKIN043330 |
β-Hydroxyisovalerylshikonin |
beta-hydroxyisovalerylshikonin; beta-hydro-xyisovalerylshikonin |
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388.4 g/mol |
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TCMBANKIN043761 |
myoscorpine |
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C20H31NO6 |
381.5 g/mol |
CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O |
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TCMBANKIN043836 |
Lithospermic acid B |
4-{(E)-2-[1-Carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl]-vinyl}-2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid 2-carboxy-3-(3,4-dihydroxy-phenyl)-propyl ester; (2R)-2-[(2S,3S)-4-[(E)-3-[(1R)-1-(3,4-dihydroxybenzyl)-2-hydroxy-2-keto-ethoxy]-3-keto-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propionic acid; AIDS-085661; lithospermic acid B; 83415-79-6; AIDS085661; 4-((E)-2-(1-Carboxy-2-(3,4-dihydroxy-phenyl)-ethoxycarbonyl)-vinyl)-2-(3,4-dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-3-carboxylic acid 2-carboxy-3-(3,4-dihydroxy-phenyl)-propyl ester; AIDS-096006; (2R)-2-({(2E)-3-[(2S,3S)-3-{[(1R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid; lithospermic acid b; (2R)-3-(3,4-dihydroxyphenyl)-2-[[(2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxoethoxy]-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydrobenzofuran-3-yl]-oxomethoxy]propanoic acid; AIDS096006; lithospermicacid b; (2R)-3-(3,4-dihydroxyphenyl)-2-[[(2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxo-propan-2-yl]oxy-3-oxo-prop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-yl]carbonyloxy]propanoic acid; (2R)-3-(3,4-dihydroxyphenyl)-2-[(2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]-3-oxo-prop-1-enyl]-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl]oxy-propanoic acid |
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388.41 |
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TCMBANKIN044980 |
isovalerylshikonin |
[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate; CHEMBL463439; isovalerylalkannin; Isovaleryl alkannin; AC1NSX6R; CJ-25124; I14-62674; ZINC1580028 |
C21H24O6 |
372.4 g/mol |
CC(C)CC(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
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TCMBANKIN045339 |
deoxy-delta3,5-tigogenin |
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TCMBANKIN045883 |
Eicosyl caffeate |
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TCMBANKIN045920 |
Des-O-methyllasiodiplodin |
13,15-dihydroxy-10-oxabicyclo[10.4.0]hexadeca-1(16),12,14-trien-11-one; CHEMBL1669771; des-o-methyllasiodiplodin; AC1NSUF7 |
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264.32 g/mol |
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TCMBANKIN046253 |
NP02140176-41-KNa |
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TCMBANKIN046421 |
Acetylshikonin |
ZINC16954710; CHEMBL112415; SCHEMBL4289438; 11-O-Acetylalkannin; Acetylalkannin; acetylalkannin |
C18H18O6 |
330.332 |
c1([H])c(O[H])c(C(=O)C([H])=C([C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C2=O)c2c(O[H])c1[H] |
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TCMBANKIN046985 |
3,4-trans-(erythro)-3,5-Bis(tripolyphosphate)-4-pentanolide |
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TCMBANKIN047514 |
beta-acetoxyisovalerylshikonin |
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C23H26O8 |
430.448 |
c1([H])c(O[H])c(C(=O)C([H])=C([C@]([H])(OC(=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])OC(=O)C([H])([H])[H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C2=O)c2c(O[H])c1[H] |
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TCMBANKIN047595 |
α-methyl-n-butyrylshikonin |
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CCC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
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TCMBANKIN047742 |
hydroxymyoscorpine |
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C20H31NO7 |
397.5 g/mol |
CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O |
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TCMBANKIN048127 |
lobelanidine |
CHEMBL1473116; CAS-6112-86-3; (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol; ZINC13704163; AC1O7GDN; NCGC00016670-01 |
C22H29NO2 |
339.471 |
C([H])([H])([H])N1[C@@]([H])(C([H])([H])[C@@]([H])(O[H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[C@]([H])(O[H])c3c([H])c([H])c([H])c([H])c3[H] |
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TCMBANKIN048234 |
Anhydroalkannin |
2-[(6Z)-2,9-dimethyldeca-2,6,8-trien-5-yl]-5,8-dihydroxynaphthalene-1,4-dione; AC1NSXHP |
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270.28 g/mol |
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TCMBANKIN048627 |
shikonofuran e |
[1-[5-3-furanyl]-4-methyl-3-penten-1-yl]3-methyl-2-butenoate; Shikonofuran E; [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate; AC1NT0DX; BDBM50363753; 85022-62-4; CHEMBL1944654 |
C21H24O5 |
356.4 g/mol |
CC(=CCC(C1=COC(=C1)C2=C(C=CC(=C2)O)O)OC(=O)C=C(C)C)C |
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TCMBANKIN049341 |
shikonofuran B |
[1-[5-3-furanyl]-4-methyl-3-penten-1-yl]2-methylbutanoate; AC1NT0DO; 85022-65-7; shikonofuran b; [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 2-methylbutanoate; Shikonofuran B |
C21H26O5 |
358.43 |
CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O |
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TCMBANKIN050208 |
shikonofuran d |
85022-63-5; CHEMBL1946216; Shikonofuran D; [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 2-methylpropanoate; BDBM50363754; AC1NT0DU |
C20H24O5 |
344.4 g/mol |
CC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O |
|
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
|
TCMBANKIN058155 |
dipotassiumrabdosiin |
np02140176-40;(2R)-3-(3,4-dihydroxyphenyl)-2-[(1R,2S)-1-(3,4-dihydroxyphenyl)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-oxido-1-oxopropan-2-yl]oxycarbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxypropanoate; AC1NSZ89 |
C36H28O16-2 |
|
C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C2C(C3=CC(=C(C=C3C=C2C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)[O-])O)O)C5=CC(=C(C=C5)O)O)O)O |
|
TCMBANKIN058752 |
shikonin |
HMS1990P11; 517-89-5; ST2402660; SBB066976; BSPBio_001270; AJ-32590; NEZONWMXZKDMKF-SNVBAGLBSA-N; N1643; (+)-Shikonin; HY-N0822; DTXSID30199653; NCGC00163489-01; 517S895; MLS006010149; CS-5906; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; HMS1792P11; AB0013814; RL03907; SR-05000001466-3; (R)-(+)-Shikonin; 1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYL-3-PENTENYL)-, (+)-; BP-30212; J-502235; NSC 252844; SR-05000001466-1; s8279; HSDB 8100; CCG-208272; C17412; SCHEMBL33969; FT-0651798; CCRIS 6492; 874325-10-7; 3IK6592UBW; AC-26871; 5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione; HMS3403P11; BRN 2058010; KB-210224; AK105374; CHEBI:81068; CTK4J4851; NCGC00163489-02; NCGC00163489-04; N2643; KS-00001FJP; AC1LA0SH; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-; 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-naphthoquinone; TR-031448; Shikonin S; AC1Q6B9B; 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-; ANW-73225; Tokyo Violet; MolPort-005-932-876; Shikonine; UNII-3IK6592UBW; W-2767; 876010-87-6; CJ-31254; (+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-en-1-yl]-1,4-dihydronaphthalene-1,4-dione; SR-05000001466; 1,4-Naphthalenedione,5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-; (R)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione; MFCD00075680; SMR002530673; AKOS015900416; AS-13554; ZINC2015152; (-)-Shikonin; BG01580835; I664; Isoarnebin 4; HMS2089L09; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione; 5,8-Dihydroxy-2-((R)-1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione; BSPBio_001270; AIDS094462; AIDS-094462; 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]-1,4-naphthoquinone; 1,4-Naphthalenedione, 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-pentenyl]-; NCGC00163489-01; Isoarnebin 4 |
C16H16O5 |
288.3 |
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C |
|
TCMBANKIN058753 |
arnebin |
Alkannin beta,beta-dimethylacrylate;3-methylbut-2-enoic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate; 3-methylbut-2-enoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; C10293; 5162-01-6; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate; NCIMech_000202; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate |
C21H22O6 |
370.4 g/mol |
CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C |
|
TCMBANKIN058897 |
deoxyshikonin |
X908DXC99I; 1,4-Naphthalenedione,5,8-dihydroxy-2-(4-methyl-3-penten-1-yl)-; D2117; 43043-74-9; DTXSID80195660; C18133; CJ-29399; 11-Deoxyalkannin; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthalenedione; 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-; CHEBI:81530; BG00979346; ARNEBIN-7; NSC 179184; Arnebin 7; AC1L40II; CHEMBL486627; SR-05000013699-1; NSC179184; 9368AF; MolPort-035-785-199; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone; ZINC1730009; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone #; UNII-X908DXC99I; MFCD00144053; C-56477; VOMDIEGPEURZJO-UHFFFAOYSA-N; Deoxyshikonin; FT-0749847; SR-05000013699; CCG-208460; NSC-179184; AC1Q6B9I; SCHEMBL2873443;Arnebin 7;NSC 179184; 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione; Deoxyshikonin; 43043-74-9; NSC179184; 5,8-Dihydroxy-2-(4-methyl-3-pentenyl)naphthoquinone; ARNEBIN-7; 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-; 5,8-dihydroxy-2-(4-methylpent-3-enyl)-1,4-naphthoquinone |
C16H16O4 |
272.29 g/mol |
CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C |
|
TCMBANKIN059230 |
isovalericacid |
LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid |
C5H10O2 |
102.13 g/mol |
CC(C)CC(=O)O |
|
TCMBANKIN059397 |
7-angeloylheliotridine |
rivularine; o7-angeloylretronecine |
C13H19NO3 |
237.29 g/mol |
CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO |
|
TCMBANKIN060529 |
Tormentic acid |
|
C30H48O5 |
488.7 g/mol |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O |
|
TCMBANKIN060635 |
propionylshikonin |
|
C19H20O6 |
344.4 g/mol |
CCC(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
|
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
|
TCMBANKIN060881 |
linoleic acid ethyl ester |
|
C20H36O2 |
308.5 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)OCC |
|
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 |
|
TCMBANKIN061107 |
Ethyl icosanoate |
|
C22H44O2 |
340.58 |
CCCCCCCCCCCCCCCCCCCC(=O)OCC |
|
TCMBANKIN061128 |
n-tetracosanoic acid |
|
C24H48O2 |
368.64 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
|
TCMBANKIN061158 |
Lignocerol |
|
C24H50O |
354.7 g/mol |
CCCCCCCCCCCCCCCCCCCCCCCCO |
|
TCMBANKIN061159 |
Healip |
|
C22H46O |
326.6 g/mol |
CCCCCCCCCCCCCCCCCCCCCCO |
|
TCMBANKIN061161 |
eicosanol;n-eicosanol |
|
C20H42O |
298.55 |
CCCCCCCCCCCCCCCCCCCCO |
|
TCMBANKIN061166 |
octadecyl caffeate;octadecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;octadecanyl caffeate |
|
C27H44O4 |
432.6 g/mol |
CCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O |
|
TCMBANKIN061473 |
Isovanillin |
3-Hydroxy-4-anisaldehyde; 3-Hydroxy-4-methoxybenzaldehyde; FT-0615821; ANW-34085; 4-Methoxy-3-hydroxy-benzaldehyde; DSSTox_RID_83498; ACMC-209n07; 4-methoxy-5-hydroxybenzaldehyde; NCGC00247609-01; BR-26987; SMR000156287; 143685_ALDRICH; BG01499429; CHEMBL275563; AK-26987; SBB008245; SC-05820; Q-100718; 3-Hydroxy-4-methoxybenzaldehyde; 3-hydroxy-4-anisaldehyde; MCULE-7646011311; 621-59-0; PubChem7770; F1995-0251; RTC-060637; 3-hydroxy-4-methoxy- benzaldehyde; 3-hydroxy-4-methoxy- benzaldehyde;BB_NC-2245; 3-Hydroxyanisaldehyde; AJ-16240; DSSTox_GSID_49423; 4A9N90H9X6; PS-4589; Isovanilline; 3-Hydroxy-para-anisaldehyde; MolPort-000-146-016; 3-hydroxy-4methoxy-benzaldehyde; NSC82996; SCHEMBL70256; BC204204; JVTZFYYHCGSXJV-UHFFFAOYSA-N; Tox21_202858; 4-Methoxy-3-hydroxybenzaldehyde; KS-000002MN; DTXSID7049423; 3-hydroxy-4-methoxy benzaldehyde; p-Anisaldehyde, 3-hydroxy- (8CI); Benzaldehyde, 3-hydroxy-4-methoxy-; AN-15747; D0E9CD; EBD684885; isovanillin; I0519; LS10550; A833619; 59927_FLUKA; HMS3348H19; Isovanicaline; 4-methoxy-3-oxidanyl-benzaldehyde; 3-Hydroxy-4-methoxy-benzaldehyde; LS-25072; 4-08-00-01764 (Beilstein Handbook Reference); HMS2194I16; AC-541; KSC354M3B; ZINC164617; Isovanillin, >=95.0%; ISOVANILLIN; ST50213460; I01-0153; BBL023550; NCGC00260404-01; BG00600677; NSC 82996; WLN: VHR CQ DO1; isovanilin; BRN 1073021; NSC-82996; 3-hydroxy-4-methoxy-benzaldehyde; CJ-02189; ZB008229; MLS000574853; Oxy-3 methoxy-4 benzaldehyde; DSSTox_CID_29383; CS-W009023; NCIOpen2_001085; 3-Hydroxy-4-methoxybenzaldehyde, 99%; DB-010058; 3-Hydroxyanisaldehyde; Isovanillin; 59940_FLUKA; ST24022906; AC1Q469E; STK400134; TRA0093875; InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H; AKOS000120260; 3-hydroxy4-methoxybenzaldehyde; M-6105; CAS-621-59-0; TC-060637; TL8004050; AB1002458; CM13992; Oxy-3 methoxy-4 benzaldehyde [French]; p-Anisaldehyde, 3-hydroxy-; CTK2F4630; iso-Vanillin; AC1L1YWO; 5-Formylguaiacol; FT-0615853; 21I590; isovaniline; ZINC00164617; RP21587; KB-32136; BDBM50240367; 3-Hydroxy-p-anisaldehyde; P-Anisaldehyde, 3-hydroxy-(8CI); UNII-4A9N90H9X6; EINECS 210-694-9; MFCD00003369 |
C8H8O3 |
152.15 |
COC1=C(C=C(C=C1)C=O)O |
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Dai SX Lab