**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

hederagenin

Properties Image Occurences in reactions MNX_ID MNXM1363832 #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0 formula C30H47O4 charge -1 mass 471.702 reference chebi:140466 InChIKey PGOYMURMZNDHNS-MYPRUECHSA-M InChI InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/p-1/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1 SMILES [CH3:1][C:25]1([CH3:2])[CH2:13][CH2:15][C@:30]2([C:24](=[O:33])[OH:34])[CH2:16][CH2:14][C@:28]3([CH3:5])[C:19](=[CH:7][CH2:8][C@@H:22]4[C@@:26]5([CH3:3])[CH2:11][CH2:10][C@H:23]([OH:32])[C@@:27]([CH3:4])([CH2:18][OH:31])[C@@H:21]5[CH2:9][CH2:12][C@:29]43[CH3:6])[C@@H:20]2[CH2:17]1

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:140466 chebi:140466	hederagenin (3beta)-3,23-dihydroxyolean-12-en-28-oate 3beta,23-dihydroxyolean-12-en-28-oate hederagenin(1-)
seed.compound:cpd25700 seedM:cpd25700	(3-beta,4-alpha)-3,23-Dihydroxyolean-12-en-28-oic acid Astrantiagenin E Caulosapogenin Hederagenic acid hederagenin
CHEBI:69579 chebi:69579	hederagenin (3beta)-3,23-dihydroxyolean-12-en-28-oic acid Astrantiagenin E Caulosapogenin Hederagenic acid Hederagenol
seedM:M_cpd25700	secondary/obsolete/fantasy identifier