TCMBANKIN000103 |
periplocin |
|
C36H56O13 |
696.82 |
CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O |
TCMBANKIN000104 |
Perillyl alcohol |
77311_FLUKA; (S)-(-)-Perillyl alcohol; [(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol; perillyl alcohol; p-Mentha-1,8-diene-7-ol; NCI60_013758; LMPR01020028; (S)-4-Isopropenyl-1-cyclohexenylmethanol; W266418_ALDRICH; (S)-p-Mentha-1,8-dien-7-ol; [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol; InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H; [(4S)-4-isopropenyl-1-cyclohexenyl]methanol; 18457-55-1; Perillic alcohol; (-)-Perillyl alcohol; (−)-Perillyl alcohol; C02452; (S)-(−)-Perillyl alcohol; perillyl alcohol ; CHEBI:10782; NSC641066; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl); ZINC03861538; 218391_ALDRICH; p-Mentha-1,8-dien-7-ol; (-)-Perillylalcohol |
C10H16O |
152.23 |
CC(=C)C1CCC(=CC1)CO |
TCMBANKIN000317 |
periplocoside O_qt |
|
|
474.7 |
|
TCMBANKIN000756 |
adenostemmoic acid d |
|
C20H30O6 |
366.4 g/mol |
CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)O |
TCMBANKIN002903 |
delta 5-Pregnenetriol |
(3S,8R,9S,10R,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol; 903-67-3; 5-Pregnene-3beta,17alpha,20alpha-triol; Pregn-5-ene-3,17,20-triol, (3beta,20S)-; Pregn-5-ene-3beta,17alpha,20alpha-triol |
C21H34O3 |
334.49 |
CC(C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O |
TCMBANKIN002994 |
periplocoside C_qt |
periplocoside A_qt |
|
777.06 |
|
TCMBANKIN003887 |
Glycoside H2_qt |
|
|
334.55 |
|
TCMBANKIN005420 |
periplocin_qt |
|
|
390.57 |
|
TCMBANKIN007110 |
3'-Methoxysecoisolariciresinol |
3'-methoxysecoisolariciresinol |
|
392.49 |
COC1=CC(=CC(=C1O)OC)CC(CO)C(CC2=CC(=C(C=C2)O)OC)CO |
TCMBANKIN007427 |
[(3S,8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
[(3S,8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate; acetic acid [(3S,8S,9S,10R,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester |
C23H36O3 |
360.53 |
|
TCMBANKIN007650 |
adenostemmmoside b |
|
C26H38O10 |
0 |
CC1(CCCC2(C1CCC34C2(C(CC(C3)C(=C)C4=O)O)O)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O |
TCMBANKIN008084 |
Daturic acid |
67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid |
C17H34O2Pb |
478 g/mol |
CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
TCMBANKIN008322 |
Periplocoside M_qt |
|
|
474.7 |
|
TCMBANKIN008667 |
21-O-Methyl-5,14-pregndiene-3β,14β,17β,21-tetrol-20-one |
|
|
362.56 |
|
TCMBANKIN009079 |
compound 4(isodon umbrosa) |
|
C22H32O6 |
|
|
TCMBANKIN009149 |
periplocoside E_qt |
|
|
636.91 |
|
TCMBANKIN010351 |
Glycoside K_qt |
Glycoside H1_qt |
|
318.55 |
|
TCMBANKIN010655 |
glycoside k(periplocae) |
|
C40H66O16 |
|
CC1C(C(C(C(O1)OC(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)OC)O |
TCMBANKIN011250 |
compound 1a(periploca sepium) |
|
C22H34O5 |
|
|
TCMBANKIN011506 |
adenostemmoic acid f |
|
C20H30O5 |
350.4 g/mol |
CC1(CCCC2(C1CCC34C2(C5CC(C3)C(C4O)(O5)C)O)C)C(=O)O |
TCMBANKIN011612 |
periplocoside D_qt |
|
|
777.06 |
|
TCMBANKIN012091 |
alpha-amyrin acetate |
α-amyrin acetate; alpha-Amyrin acetate |
C32H52O2 |
468.75 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C |
TCMBANKIN013477 |
Perlatolic acid |
2-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylphenyl)-oxomethoxy]-6-pentylbenzoic acid; NCI60_015815; 529-47-5; 2-Hydroxy-4-((2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy)-6-pentylbenzoic acid; perlatolicacid; 2-amyl-4-(2-amyl-6-hydroxy-4-methoxy-benzoyl)oxy-6-hydroxy-benzoic acid; 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-phenyl)carbonyloxy-6-pentyl-benzoic acid; Perlatolinic acid; beta-Resorcylic acid, 6-pentyl-, 4-(2-hydroxy-6-pentyl-p-anisate); perlatolic acid; AIDS138684; NSC646002; AIDS-138684; 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-benzoyl)oxy-6-pentyl-benzoic acid; 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid |
C25H32O7 |
444.52 |
CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC |
TCMBANKIN014016 |
glycoside E_qt |
|
|
334.55 |
|
TCMBANKIN014918 |
adenostemmoic acid c |
|
C20H32O6 |
368.5 g/mol |
CC12CCCC(C1CCC34C2C(CC(C3)C(C4O)(CO)O)O)(C)C(=O)O |
TCMBANKIN015967 |
periplocymarin_qt |
|
|
390.57 |
|
TCMBANKIN016986 |
periplocoside B_qt |
|
|
777.06 |
|
TCMBANKIN017113 |
adenostemmmoside d |
|
C26H40O11 |
0 |
CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O |
TCMBANKIN017218 |
Periplogenin-3-O-alpha-L-rhamnopyranoside_qt |
|
|
390.57 |
|
TCMBANKIN017300 |
Glycozolidal |
2,7-dimethoxy-9H-carbazole-3-carboxaldehyde; glycozolidal; 2,7-dimethoxy-9H-carbazole-3-carbaldehyde; 9H-Carbazole-3-carboxaldehyde, 2,7-dimethoxy-; AIDS342644; AIDS-342644 |
C15H13NO3 |
255.27 g/mol |
COC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)OC)C=O |
TCMBANKIN017585 |
adenostemmmoside e |
|
|
0 |
|
TCMBANKIN022584 |
adenostemmmoside c |
|
|
0 |
|
TCMBANKIN022719 |
(2S,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyloxane-3,5-diol |
(2S,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3,5-diol; (2S,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-oxane-3,5-diol; (2S,3R,4S,5S,6R)-2-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyltetrahydropyran-3,5-diol |
C28H46O7 |
494.66 |
|
TCMBANKIN023805 |
adenostemmoic acid a |
|
C20H30O4 |
334.4 g/mol |
CC12CCCC(C1CCC34C2C(CC(C3)C(=C)C4O)O)(C)C(=O)O |
TCMBANKIN024114 |
periplocoside K_qt |
|
|
777.06 |
|
TCMBANKIN024609 |
adenostemmoic acid b |
|
C20H28O5 |
348.4 g/mol |
CC1(CCCC2(C1CCC34C2(C(CC(C3)C(=C)C4=O)O)O)C)C(=O)O |
TCMBANKIN027216 |
compound 2(isodon umbrosa) |
|
C22H32O5 |
|
|
TCMBANKIN027838 |
Lupeol acetate |
lupeol acetate; 3-Acetyllupeol; Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester; C08630; AIDS-076591; Lup-20(29)-en-3-ol, acetate, (3beta)-; LMPR01060014; AIDS076591; Lup-20(29)-en-3beta-ol, acetate (8CI); NSC 281806; 1617-68-1; EINECS 216-575-8 |
C32H52O2 |
468.75 |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
TCMBANKIN031171 |
periplocoside F_qt |
|
|
636.91 |
|
TCMBANKIN032057 |
adenostemmoic acid e |
|
C20H30O7 |
382.4 g/mol |
CC1(CCCC2(C1CCC34C2(C(CC(C3)C(C4=O)(CO)O)O)O)C)C(=O)O |
TCMBANKIN032840 |
periplocoside J_qt |
|
|
636.91 |
|
TCMBANKIN033203 |
(2R,3S,4R,6S)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol |
(2R,3S,4R,6S)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyl-oxane-3,4-diol; (2R,3S,4R,6S)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyl-tetrahydropyran-3,4-diol; (2R,3S,4R,6S)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyltetrahydropyran-3,4-diol |
C27H44O6 |
464.63 |
|
TCMBANKIN034330 |
adenostemmoic acid g |
|
C20H30O5 |
350.4 g/mol |
CC12CCCC(C1CCC34C2C5CC(C3)C(C4O)(O5)CO)(C)C(=O)O |
TCMBANKIN036477 |
adenostemmmoside f |
|
C26H40O10 |
0 |
CC1(CCCC2(C1CCC34C2(C5CC(C3)C(C4O)(O5)C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O |
TCMBANKIN036814 |
β-Amyrin |
SCHEMBL14226156; beta-Amyrine; β- amyrin; beta-amyrin ; beta-amyrin; 12-oleanex-3beta-ol; NSC-527971 |
|
426.72 |
|
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-] |
TCMBANKIN036901 |
myristic acid |
1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 |
C14H28O2 |
228.371 |
C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
TCMBANKIN036938 |
Periplocoside E |
periplocoside e |
|
1257 |
|
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] |
TCMBANKIN037334 |
Periplocae oligosaccharide F2 |
|
|
|
|
TCMBANKIN037369 |
21-O-Methyl-5-pregnene-3β,17β,21-tetrol-20-one |
|
|
|
|
TCMBANKIN037453 |
S-20 |
|
|
|
|
TCMBANKIN037602 |
Periplocymarin |
|
|
534.68 |
|
TCMBANKIN037845 |
Periplocoside M |
periplocoside m |
|
604.77 |
|
TCMBANKIN037852 |
Methyl-1propenyl thiosulfinate |
1-Propenyl(methylthio) sulfoxide; (E)-1-Propene-1-sulfinothioic acid S-methyl ester; (E)-1-methylsulfanylsulfinylprop-1-ene; SCHEMBL7033509; AC1NSYKM; SCHEMBL7033512; methyl-1propenyl thiosulfinate |
C4H8OS2 |
136.2 g/mol |
CC=CS(=O)SC |
TCMBANKIN038146 |
21-o-methyl-5,14-pregndiene-3β,14β,17β,21-tetrol |
|
C22H34O4 |
|
CC12CCC(CC1=CCC3C2CCC4(C3=CCC4(C(COC)O)O)C)O |
TCMBANKIN038377 |
periplocoside O |
periplocoside o |
C36H56O10 |
648.82 |
CC1C=C(C(=O)C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5(C(C)OC6CC(C(C(O6)C)O)OCOC)O)C)C)OC |
TCMBANKIN038567 |
periplocagenin |
|
C28H42O6 |
|
|
TCMBANKIN038707 |
alpha-amyrin |
α-Amyrin; C08615; Urs-12-en-3-ol; Urs-12-en-3-ol, (3beta)- (9CI); alpha-Amyrine; Urs-12-en-3.beta.-ol; ST5411384; (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol; (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol; (3.beta.)-Urs-12-en-3-ol; 3-epi-α-amyrin; A834570; Urs-12-en-3-ol #; FSLPMRQHCOLESF-UHFFFAOYSA-N; EINECS 211-352-1; MCULE-7089035597; 12-ursen-3beta-ol; .alpha.-Amyrine; α-amyrin; NSC-114787; alpha-Amyrin; AC1L5E7U; Urs-12-en-3beta-ol; alpha-Amyrenol; Viminalol; 638-95-9; AIDS-070313; Epi-alpha-amyrin; 53017_FLUKA; AIDS070313; AC1Q7B25; .alpha.-Amyrin; 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol; NSC 114787; NSC114787; alpha-amyrin ; Urs-12-en-3-ol, (3.beta.)-; .alpha.-Amyrenol; LMPR01060011; α- amyrin; SMP2_000308 |
C30H50O |
426.72 |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
TCMBANKIN039116 |
periplocoside B |
periplocoside b |
C56H88O19 |
1065.29 |
CC1C=C(C(=O)C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5(C(C)OC6CC7C(C(O6)C)OOC8(CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)O)OC)OC)OC)CO7)O)C)C)OC |
TCMBANKIN039461 |
periplocoside h2 |
|
C56H92O25 |
|
|
TCMBANKIN039685 |
periplocoside C |
periplocoside c |
C49H76O16 |
921.12 |
CC1C=C(C(=O)C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5(C(C)OC6CC7C(C(O6)C)OOC8(CC(C(C(O8)C)OC9CC(C(C(O9)C)O)OC)OC)CO7)O)C)C)OC |
TCMBANKIN039808 |
Periplogenin |
3-beta,5,14-Trihydroxy-5-beta-card-20(22)-enolide; periplogenin; 5-beta-Hydroxydigitoxigenin; Desoxostrophanthidin; 4-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one; 514-39-6; ZINC04023037; STOCK1N-00120; Card-20(22)-enolide, 3,5,14-trihydroxy-, (3-beta,5-beta)- (9CI); 5-beta-CARD-20(22)-ENOLIDE, 3-beta,5,14-TRIHYDROXY- |
|
390.51 |
|
TCMBANKIN039859 |
periplocoside A |
periplocoside a |
C72H114O27 |
1411.66 |
CC1C=C(C(=O)C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5(C(C)OC6CC7C(C(O6)C)OOC8(CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1C(C(C(C(O1)C)O)OC)OC(=O)C)OC)OC)OC)OC)CO7)O)C)C)OC |
TCMBANKIN040164 |
periplocoside D |
periplocoside d |
C69H110O26 |
1356 |
[C@]1([H])(O[C@]([H])(O[C@]([H])(C([H])([H])[H])[C@@]2([H])O[C@]([H])(O[C@]([H])(C([H])([H])[H])[C@@]3([H])O[C@]([H])(O[C@]([H])(C([H])([H])[H])[C@@]4([H])O[C@]([H])(O[C@]([H])(C([H])([H])[H])[C@]5([H
])O[H])[C@]([H])(O[H])[C@@]5([H])OC([H])([H])[H])C([H])([H])[C@]4([H])OC([H])([H])[H])C([H])([H])[C@]3([H])O[H])C([H])([H])[C@]2([H])O[H])[C@@]([H])(C([H])([H])[H])O[C@]6(OO[C@]([H])([C@@]([H])(C([H])
([H])[H])O[C@@]([H])(O[C@]([H])([C@@]7(O[H])C([H])([H])C([H])([H])[C@@]([H])([C@@](C([H])([H])C([H])=C(C([H])([H])[C@@]([H])(O[C@]([H])(O[C@]8([H])C([H])([H])[H])C(=O)C(OC([H])([H])[H])=C8[H])C([H])([
H])C9([H])[H])[C@]9%10C([H])([H])[H])(C([H])([H])[H])[C@@]%10([H])C([H])([H])C%11([H])[H])[C@@]7%11C([H])([H])[H])C([H])([H])[H])C%12([H])[H])[C@]%12([H])OC6([H])[H])C([H])([H])[C@]1([H])OC([H])([H])[
H] |
TCMBANKIN040264 |
Periplocae oligosaccharide D2 |
|
|
|
|
TCMBANKIN040499 |
Periplocoside J |
periplocoside j |
|
1201.43 |
|
TCMBANKIN040582 |
Periploside C |
|
|
1411.7 g/mol |
|
TCMBANKIN040939 |
Glycoside H2 |
glycosideh2 |
C56H92O25 |
1165.31 |
CC1C(C(C(C(O1)OC(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)C)O)OC)OC(=O)C)OC)C)C)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)OC)O |
TCMBANKIN041080 |
β-amyrin acetate |
Acetic acid oleana-12-ene-3alpha-yl ester; b—Amyrin-acetate; beta-amyrin acetate; 3β-O-acetoxyolean-12-en- 28-oic acid; β- amyrin acetate; beta-amyrin acetate ; beta-Amyrin acetate |
C32H52O2 |
468.75 |
CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
TCMBANKIN041272 |
stearic acid |
4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 |
C18H36O2 |
284 |
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=
O |
TCMBANKIN042131 |
S-5 |
|
|
|
|
TCMBANKIN042205 |
Periplogenin-3-O-alpha-L-rhamnopyranoside |
periplogenin-3-o-alpha-l-rhamnopyranoside; periplogenin-3-o-α-l-rhamnopyranoside |
C29H44O9 |
536.73 |
[C@@]1([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])(C3=C([H])C(=O)OC3([H])[H])C
([H])([H])C4([H])[H])[C@]45O[H])[C@@]5([H])C([H])([H])C6([H])[H])[C@@]6(O[H])C2([H])[H])[C@]([H])(O[H])[C@]1([H])O[H] |
TCMBANKIN042999 |
Periplocae oligosaccharide F1 |
|
|
|
|
TCMBANKIN043549 |
s-4a |
|
C54H88O25 |
|
|
TCMBANKIN044660 |
Plocoside B |
|
|
1123.3 g/mol |
|
TCMBANKIN044983 |
5-pregnene-3β,20α-diol |
|
C21H34O2 |
|
CC(C1CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C)O |
TCMBANKIN045254 |
NERIDIENONE A |
neridienone a; (8R,9S,10R,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one; (8R,9S,10R,12R,13S,14S)-17-ethanoyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one; NSC334384; 12-beta-Hydroxypregna-4,6,16-triene-3,20-dione; 53823-05-5; Pregna-4,6,16-triene-3,20-dione, 12-hydroxy-, (12beta)-; NSC 334384 |
C21H26O3 |
326.43 |
CC(=O)C1=CCC2C1(C(CC3C2C=CC4=CC(=O)CCC34C)O)C |
TCMBANKIN045420 |
Periplocoside K |
periplocoside k |
|
1341.57 |
|
TCMBANKIN045638 |
beta-Sitosterol-3-O-beta-D-xylopyranoside |
AC1O3E0X; beta-sitosterol-3-o-beta-d-xylopyranoside; (2S,3R,4S,5R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol; β-sitosterol-3-o-β-d-xylopyranoside; beta-Sitosterol-3-O-beta-D-xylopyranoside_qt |
|
546.92 |
|
TCMBANKIN045885 |
Periploside A |
|
|
|
|
TCMBANKIN046166 |
21-O-Methyl-5-pregnene-3beta,17beta,20,21-tetrol |
21-o-methyl-5-pregnene-3beta,17beta,20,21-tetrol |
C22H34O5 |
378.56 |
C1([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@](C(=O)C([H])([H])OC([H])([H])[H])(O[H])C([H])([H])C4([H])[H])[C@@]3
4O[H])C([H])([H])[C@]1([H])O[H] |
TCMBANKIN046406 |
periplocoside l |
|
C28H46O7 |
494.7 g/mol |
CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5(C(C)O)O)C)C)O)OC)O |
TCMBANKIN046487 |
Periplocoside F |
periplocoside f |
|
1229.49 |
|
TCMBANKIN047335 |
periplocae oligosaccharide c1 |
|
C30H50O15 |
|
|
TCMBANKIN048450 |
xysmalogenin |
|
C23H32O4 |
372.5 |
CC12CCC(CC1=CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O |
TCMBANKIN048738 |
S-I |
|
|
|
|
TCMBANKIN048948 |
Patchoulenone |
|
|
218.33 |
|
TCMBANKIN049752 |
Periplocoside N |
|
|
464.6 g/mol |
|
TCMBANKIN050343 |
s-10 |
|
C6H8I2O4 |
397.93 g/mol |
C(COC(=O)CI)OC(=O)CI |
TCMBANKIN052858 |
5-Prenylbutein |
|
C20H20O5 |
340.4 g/mol |
CC(=CCC1=C(C(=CC(=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)O)O)C |
TCMBANKIN057969 |
Azelex |
2,4 azelaic acid; NCGC00093565-03; Azelaic acid [USAN:INN]; Azelaic acid; NCGC00093565-04; KBio1_000532; 458317_ALDRICH; Acide azelaique [French]; Azelaic acid, technical grade; NSC 19493; SH-441; AI3-06299; Azelaic acid (USAN); Finacea; Emerox 1110; 1,9-Nonanedioic acid; 27825-99-6; NCGC00093565-02; KBio2_005573; Spectrum4_000401; A96150_ALDRICH; BRN 1101094; AZ1; Heptanedicarboxylic acid; DivK1c_000532; EU-0100051; ZK 62498; Lopac-246379; NCGC00093565-06; D03034; SPBio_001089; Acido azelaico [Spanish]; NINDS_000532; 123-99-9; Nonanedioic acid; 32733-99-6; LMFA01170054; AIDS002603; Polyazelaic anhydride; SMR000059164; BSPBio_001756; NCGC00014993-01; Acidum azelaicum [Latin]; Poly(azelaic anhydride); 4-02-00-02055 (Beilstein Handbook Reference); AIDS-002603; Lepargylic acid; AGN-191861; KBioGR_000662; C08261; LS-22779; SDCCGMLS-0066619.P001; KBio2_000437; KBioSS_000437; Skinoren; Spectrum2_000995; Azelaic polyanhydride; 246379_ALDRICH; 26776-28-3; 1,7-Heptanedicarboxylic acid; MLS000069659; Spectrum3_000278; Anchoic acid; NSC19493; Emerox 1144; Spectrum5_001304; Azelaic acid polyanhydride; EINECS 204-669-1; SPECTRUM1500648; KBio3_001256; KBio2_003005; Spectrum_000057; Lopac0_000051; Finacea (TN); IDI1_000532; ZK-62498; Nonanedioic acid, homopolymer; Finevin; Skinorem; Azelex (TN) |
C9H16O4 |
188.22 g/mol |
C(CCCC(=O)O)CCCC(=O)O |
TCMBANKIN058693 |
Perilloside A;perillylglucopyranoside |
perilloside a; 141206-20-4; beta-D-Glucopyranoside, (4-(1-methylethenyl)-1-cyclohexen-1-yl)methyl; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methoxy]oxane-3,4,5-triol; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(4S)-4-isopropenyl-1-cyclohexenyl]methoxy]tetrahydropyran-3,4,5-triol; (2R,3R,4S,5S,6R)-2-[[(4S)-4-isopropenyl-1-cyclohexenyl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol |
C16H26O6 |
314.37 |
CC(=C)C1CCC(=CC1)COC2C(C(C(C(O2)CO)O)O)O |
TCMBANKIN059284 |
delta 5-Pregnenetriol |
(3S,8R,9S,10R,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol; 903-67-3; 5-Pregnene-3beta,17alpha,20alpha-triol; Pregn-5-ene-3,17,20-triol, (3beta,20S)-; Pregn-5-ene-3beta,17alpha,20alpha-triol; 5-pregnene-3β,17α,20α-triol |
C21H34O3 |
334.49 |
CC(C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O |
TCMBANKIN059451 |
methyl-1-propenyl thiosulfinate |
|
C4H8OS2 |
136.2 g/mol |
CC=CS(=O)SC |
TCMBANKIN059505 |
evodin |
|
C26H30O8 |
470.5 g/mol |
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C |
TCMBANKIN059614 |
Amyrin |
|
C30H50O |
426.72 |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C |
TCMBANKIN060124 |
adenostemmmoside g |
|
C26H40O10 |
0 |
CC12CCCC(C1CCC34C2C5CC(C3)C(C4O)(O5)CO)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O |
TCMBANKIN060150 |
Glycoside H2 |
|
C56H92O25 |
1165.31 |
CC1C(C(C(C(O1)OC(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)C)O)OC)OC(=O)C)OC)C)C)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)OC)O |
TCMBANKIN060151 |
glycoside h1(periplocae) |
|
C56H92O24 |
|
CC1C(C(C(C(O1)OC(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)OC6CC(C(C(O6)C)OC7C(C(C(C(O7)C)O)OC)OC(=O)C)OC)C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)OC)O |
TCMBANKIN060229 |
Glycoside H1;kalopanaxsaponin B;akebin b;akebin f;Akeboside sth;tauroside h 2 |
|
C59H96O26 |
1149.48 |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
TCMBANKIN060284 |
periplocin |
|
C36H56O13 |
696.82 |
CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)OC)OC7C(C(C(C(O7)CO)O)O)O |
TCMBANKIN060328 |
Periplocoside M |
|
C34H52O9 |
604.77 |
CC1C=C(C(=O)C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5(C(C)OC6CC(C(C(O6)C)O)O)O)C)C)OC |
TCMBANKIN060544 |
alpha-amyrin |
|
C30H50O |
426.72 g/mol |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C |
TCMBANKIN060691 |
poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol |
|
C29H50O |
414.71 g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
TCMBANKIN060693 |
Sitogluside |
|
C35H60O6 |
576.85g/mol |
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
TCMBANKIN060879 |
Linolic acid |
|
C18H32O2 |
280.4 g/mol |
CCCCCC=CCC=CCCCCCCCC(=O)O |
TCMBANKIN060910 |
cis-9-hexadecenoic acid |
|
C16H30O2 |
254.41 g/mol |
CCCCCCC=CCCCCCCCC(=O)O |
TCMBANKIN060958 |
oleic acid;cis-oleic acid;oleinic acid |
|
C18H34O2 |
282.46 |
CCCCCCCCC=CCCCCCCCC(=O)O |
TCMBANKIN061029 |
myristic acid |
|
C14H28O2 |
228.37 |
CCCCCCCCCCCCCC(=O)O |
TCMBANKIN061045 |
PENTADECYLIC ACID |
|
C15H30O2 |
242.4 g/mol |
CCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061091 |
stearic acid |
|
CH3(CH2)16COOH |
284.5 g/mol |
CCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061105 |
Eicosanoic acid |
|
C20H40O2 |
312.53 g/mol |
CCCCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061118 |
behenic acid |
|
C22H44O2 |
340.6 g/mol |
CCCCCCCCCCCCCCCCCCCCCC(=O)O |
TCMBANKIN061249 |
caffeic acid ethyl ester |
|
C11H12O4 |
208.21 g/mol |
CCOC(=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 |
TCMBANKIN061528 |
scopoletin |
NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol |
C10H8O4 |
192.17 g/mol |
COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
TCMBANKIN061701 |
4-methoxy salicylic acid |
4-methoxysalicylic acid;2-hydroxy-4-methoxybenzoicacid |
C8H8O4 |
168.15 g/mol |
COC1=CC(=C(C=C1)C(=O)O)O |