Goyaglycoside c

Properties Image MNX_ID MNXM126288 reference chebi:180735 formula C38H62O9 global charge 0 mol weight 662.905 InChIKey JYKQEJLWLRMCRC-KXCQKKMCSA-N InChI InChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+/t22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,32?,35-,36+,37+,38-/m1/s1 SMILES COC1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C MNX internals InChI (mnx) InChI=1/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+/t22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,32?,35-,36+,37+,38-/m1/s1 SMILES (mnx) [CH3:1][C@H:22]([CH2:11]/[CH:10]=[CH:16]/[C:33]([CH3:2])([CH3:3])[O:44][CH3:9])[C@H:23]1[CH2:14][CH2:17][C@@:36]2([CH3:7])[C@@H:25]3[CH:15]=[CH:18][C@@:38]45[C@@H:26]([CH2:12][CH2:13][C@H:27]([O:46][C@H:31]6[C@H:30]([OH:42])[C@@H:29]([OH:41])[C@H:28]([OH:40])[C@@H:24]([CH2:21][OH:39])[O:45]6)[C:34]4([CH3:4])[CH3:5])[C@@:37]3([CH2:20][CH2:19][C@:35]12[CH3:6])[CH:32]([O:43][CH3:8])[O:47]5

Parent-child relations graph

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