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28-Glc-medicagenic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM127737Image of MNXM127737
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC36H54O11
charge-2
mass662.817
referenceseedM:cpd25704
InChIKeyXCHARIIIZLLEBL-HXZZEOLJSA-L
InChIInChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/p-2/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1
SMILES[CH3:1][C:31]1([CH3:2])[CH2:11][CH2:13][C@:36]2([C:30](=[O:44])[OH:45])[CH2:14][CH2:12][C@:33]3([CH3:4])[C:18](=[CH:7][CH2:8][C@@H:22]4[C@@:32]5([CH3:3])[CH2:16][C@H:20]([OH:38])[C@H:27]([O:47][C@H:28]6[C@H:26]([OH:41])[C@@H:25]([OH:40])[C@H:24]([OH:39])[C@@H:21]([CH2:17][OH:37])[O:46]6)[C@@:35]([CH3:6])([C:29](=[O:42])[OH:43])[C@@H:23]5[CH2:9][CH2:10][C@:34]43[CH3:5])[C@@H:19]2[CH2:15]1
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd25704
seedM:cpd25704 		28-Glc-medicagenic acid
medicagenate-28-O-B-glucoside
medicagenate-28-O-beta-D-glucoside
medicagenate-28-O-beta-glucoside
medicagenic acid-28-O-beta-glucoside
hmdb:HMDB0034552 Medicagenic acid 3-O-beta-D-glucoside
2-Hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Compound g2
Medicagenate 3-O-b-D-glucoside
Medicagenate 3-O-beta-D-glucoside
Medicagenic acid 3-O-b-D-glucoside
Medicagenic acid 3-O-beta-D-glucopyranoside
Medicagenic acid-3-O-glucopyranoside
Medicagenic acid-3-O-glucopyranoside, potassium salt, (2beta,3beta,4alpha)-isomer
CHEBI:168949
chebi:168949 		Medicagenic acid 3-O-beta-D-glucoside
2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
metacyc.compound:CPD-9487
metacycM:CPD-9487 		medicagenate-28-O-beta-D-glucoside
28-Glc-medicagenic acid
medicagenate-28-O-B-glucoside
medicagenic acid-28-O-beta-glucoside
hmdb:HMDB34552
seedM:M_cpd25704 		secondary/obsolete/fantasy identifier