MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid

	Properties	Image
MNX_ID	MNXM117646
reference	chebi:175775
formula	C₃₁H₄₈O₄
global charge	0
mol weight	484.721
InChIKey	RMIVRCBSQPCSCQ-UHFFFAOYSA-N
InChI	InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3
SMILES	COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

MNX internals

InChI (mnx)	InChI=1/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20?,22?,23?,24?,27?,28?,29?,30?,31?
SMILES (mnx)	[CH3:1][C:26]1([CH3:2])[CH:22]2[CH2:9][CH2:12][C:31]3([CH3:7])[CH:24]([C:21](=[O:32])[CH:17]=[C:19]4[CH:20]5[CH2:18][C:28]([CH3:4])([C:25](=[O:34])[O:35][CH3:8])[CH2:14][CH2:13][C:27]5([CH3:3])[CH2:15][CH2:16][C:30]43[CH3:6])[C:29]2([CH3:5])[CH2:11][CH2:10][CH:23]1[OH:33]

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
Identifier	Description
CHEBI:175775 chebi:175775 RMIVRCBSQPCSCQ-UHFFFAOYSA-N	3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
hmdb:HMDB0034516 RMIVRCBSQPCSCQ-UHFFFAOYSA-N	3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid 18-beta-Glycyrrhetinic acid methylester 3b,18b-3-Methoxy-11-oxo-12-oleanen-30-Oate Methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid Methyl 18-beta-glycyrrhetate Methyl 18-beta-glycyrrhetinate Methyl glycyrrhetate Methyl glycyrrhetinate methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate methyl 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carboxylate
hmdb:HMDB34516	secondary/obsolete/fantasy identifier