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oleanolic acid 3-O-beta-D-glucosiduronic acid

MNXM8959 is deprecated and here replaced by MNXM737262
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737262 Image of MNXM737262
referencechebi:37658
formulaC36H56O9
global charge0
mol weight632.835
InChIKeyIUCHKMAZAWJNBJ-RCYXVVTDSA-N
InChIInChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1
SMILESCC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1 Image of MNXM737262
SMILES (mnx)[CH3:1][C:31]1([CH3:2])[CH2:14][CH2:16][C@:36]2([C:30](=[O:42])[OH:43])[CH2:17][CH2:15][C@:34]3([CH3:6])[C:19](=[CH:8][CH2:9][C@@H:22]4[C@@:33]5([CH3:5])[CH2:12][CH2:11][C@H:23]([O:44][C@H:29]6[C@H:26]([OH:39])[C@@H:24]([OH:37])[C@H:25]([OH:38])[C@@H:27]([C:28](=[O:40])[OH:41])[O:45]6)[C:32]([CH3:3])([CH3:4])[C@@H:21]5[CH2:10][CH2:13][C@:35]43[CH3:7])[C@@H:20]2[CH2:18]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:37658
chebi:37658
lipidmaps:LMPR0106150003
lipidmapsM:LMPR0106150003
IUCHKMAZAWJNBJ-RCYXVVTDSA-N 		oleanolic acid 3-O-beta-D-glucosiduronic acid
28-hydroxy-28-oxoolean-12-en-3beta-yl beta-D-glucopyranosiduronic acid
3-O-(beta-D-Glucopyranuronosyl)oleanolic acid
Calenduloside E
Glycoside St-E
Momordin Ib
Oleanoic acid 3-O-glucuronide
Polysciasaponin P7
Silphioside F
oleanolic acid 3-O-glucuronide
hmdb:HMDB0040851
IUCHKMAZAWJNBJ-RCYXVVTDSA-N 		Calenduloside E
3-O-(beta-D-Glucopyranuronosyl)oleanolic acid
6-[(8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Calendulaglycoside F
Glycoside ST-e
Momordin ib
Monoglucuronide F
Oleanolate 3-glucuronide
Oleanolic acid 3-O-beta-D-glucosiduronic acid
Oleanolic acid 3-O-glucuronide
Oleanolic acid 3-O-monoglucuronide
Oleanolic acid 3-O-monoglucuronide, (beta-D)-isomer
Polysciasaponin P7
Silphioside F
hmdb:HMDB0302778
IUCHKMAZAWJNBJ-RCYXVVTDSA-N 		Momordin B
(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
3-O-(b-D-Glucopyranuronosyl)oleanolate
3-O-(b-D-Glucopyranuronosyl)oleanolic acid
3-O-(beta-D-Glucopyranuronosyl)oleanolate
3-O-(beta-D-Glucopyranuronosyl)oleanolic acid
3-O-(beta-D-glucopyranuronosyl)oleanolate
3-O-(beta-D-glucopyranuronosyl)oleanolic acid
Calenduloside e
Glycoside ST-e
Momordin ib
Monoglucuronide F
Oleanoate 3-O-glucuronide
Oleanoic acid 3-O-glucuronide
Oleanolate 3-O-b-D-glucosiduronate
Oleanolate 3-O-beta-D-glucosiduronate
Oleanolate 3-O-glucuronide
Oleanolic acid 3-O-b-D-glucosiduronic acid
Oleanolic acid 3-O-beta-D-glucosiduronic acid
Oleanolic acid 3-O-glucuronide
Oleanolic acid 3-O-monoglucuronide
Oleanolic acid 3-O-monoglucuronide, (beta-D)-isomer
Polysciasaponin P7
Silphioside F
oleanolic acid 3-O-glucuronide

kegg.compound:C08964
keggC:C08964
IUCHKMAZAWJNBJ-RCYXVVTDSA-N 		Oleanoic acid 3-O-glucuronide
Silphioside F

seed.compound:cpd05860
seedM:cpd05860
IUCHKMAZAWJNBJ-RCYXVVTDSA-L 		Oleanoic acid 3-O-glucuronide
Silphioside F
monoglucuronide F
oleanoic acid 3-O-glucuronide
oleanolate 3 beta-D-glucuronoside
oleanolic acid 3 beta-D-glucuronoside
oleanolic acid 3-O-glucuronide
oleanolic acid 3-O-monoglucuronide

metacyc.compound:CPD-9460
metacycM:CPD-9460
IUCHKMAZAWJNBJ-RCYXVVTDSA-L 		oleanolate 3 beta-D-glucuronoside
monoglucuronide F
oleanoic acid 3-O-glucuronide
oleanolic acid 3 beta-D-glucuronoside
oleanolic acid 3-O-glucuronide
oleanolic acid 3-O-monoglucuronide

hmdb:HMDB40851
chebi:25662
chebi:7740
keggC:M_C08964
seedM:M_cpd05860 		secondary/obsolete/fantasy identifier