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(1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid

PropertiesImage
MNX_IDMNXM114876 Image of MNXM114876
referencechebi:169308
formulaC30H48O6
global charge0
mol weight504.708
InChIKeyYOGUTEYZFFDORB-UHFFFAOYSA-N
InChIInChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-28(27,5)10-9-19-26(3,16-31)22(33)21(32)23(34)29(19,20)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(CO)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-28(27,5)10-9-19-26(3,16-31)22(33)21(32)23(34)29(19,20)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18?,19?,20?,21?,22?,23?,26?,27?,28?,29?,30? Image of MNXM114876
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:11][CH2:13][C:30]2([C:24](=[O:35])[OH:36])[CH2:14][CH2:12][C:27]3([CH3:4])[C:17](=[CH:7][CH2:8][CH:20]4[C:28]3([CH3:5])[CH2:10][CH2:9][CH:19]3[C:26]([CH3:3])([CH2:16][OH:31])[CH:22]([OH:33])[CH:21]([OH:32])[CH:23]([OH:34])[C:29]34[CH3:6])[CH:18]2[CH2:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169308
chebi:169308
YOGUTEYZFFDORB-UHFFFAOYSA-N 		(1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid
10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
hmdb:HMDB0035487
YOGUTEYZFFDORB-UHFFFAOYSA-N 		(1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid
(1b,2a,3a)-1,2,3,24-Tetrahydroxy-12-oleanen-28-Oate
(1b,2a,3a)-1,2,3,24-Tetrahydroxy-12-oleanen-28-Oic acid
(1beta,2alpha,3alpha)-1,2,3,24-Tetrahydroxy-12-oleanen-28-Oate
(1beta,2alpha,3alpha)-1,2,3,24-tetrahydroxy-12-oleanen-28-Oate
(1beta,2alpha,3alpha)-1,2,3,24-tetrahydroxy-12-oleanen-28-Oic acid
10,11,12-Trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

hmdb:HMDB35487 		secondary/obsolete/fantasy identifier