Gypsogenin 3-O-b-D-glucuronide

Properties Image MNX_ID MNXM126355 reference hmdb:HMDB0034520 formula C36H54O10 global charge 0 mol weight 646.818 InChIKey NUSHOJSYOLRGAX-UHFFFAOYSA-N InChI InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44) SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t20?,21?,22?,23?,24?,25?,26?,27?,29?,32?,33?,34?,35?,36? SMILES (mnx) [CH3:1][C:31]1([CH3:2])[CH2:13][CH2:15][C:36]2([C:30](=[O:43])[OH:44])[CH2:16][CH2:14][C:34]3([CH3:5])[C:19](=[CH:7][CH2:8][CH:22]4[C:32]5([CH3:3])[CH2:11][CH2:10][CH:23]([O:45][CH:29]6[CH:26]([OH:40])[CH:24]([OH:38])[CH:25]([OH:39])[CH:27]([C:28](=[O:41])[OH:42])[O:46]6)[C:33]([CH3:4])([CH:18]=[O:37])[CH:21]5[CH2:9][CH2:12][C:35]43[CH3:6])[CH:20]2[CH2:17]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0