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2,3-Dihydroxyolean-12-ene-23,28-dioic acid

MNXM19259 is deprecated and here replaced by MNXM732122
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732122 Image of MNXM732122
referencechebi:177711
formulaC30H46O6
global charge0
mol weight502.692
InChIKeyIDGXIXSKISLYAC-UHFFFAOYSA-N
InChIInChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18?,19?,20?,21?,22?,26?,27?,28?,29?,30? Image of MNXM732122
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:26]5([CH3:3])[CH2:16][CH:19]([OH:31])[CH:22]([OH:32])[C:29]([CH3:6])([C:23](=[O:33])[OH:34])[CH:21]5[CH2:9][CH2:10][C:28]43[CH3:5])[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:177711
chebi:177711
IDGXIXSKISLYAC-UHFFFAOYSA-N 		2,3-Dihydroxyolean-12-ene-23,28-dioic acid
2,3-dihydroxy-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
hmdb:HMDB0034551
IDGXIXSKISLYAC-UHFFFAOYSA-N 		Medicagenic acid
2,3-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate
2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid
2,3-dihydroxy-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
2-beta,3-beta-Dihydroxyolean-12-ene-23,28-dioic acid
Catsanogenin
Medicagenate
Medicogenic acid
hmdb:HMDB0304417
IDGXIXSKISLYAC-UHFFFAOYSA-L 		medicagenate
2,3-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid
2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate
2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
Medicagenic acid

hmdb:HMDB34551 		secondary/obsolete/fantasy identifier