Momordicoside K

Properties Image MNX_ID MNXM128116 reference chebi:176276 formula C37H60O9 global charge 0 mol weight 648.878 InChIKey HPSVQEWDZSDXRG-ZMMZJDKESA-N InChI InChI=1S/C37H60O9/c1-21(10-9-14-33(2,3)44-8)22-13-15-36(7)31-25(45-32-30(43)29(42)28(41)26(19-38)46-32)18-24-23(11-12-27(40)34(24,4)5)37(31,20-39)17-16-35(22,36)6/h9,14,18,20-23,25-32,38,40-43H,10-13,15-17,19H2,1-8H3/b14-9+/t21-,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,35-,36+,37-/m1/s1 SMILES COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C MNX internals InChI (mnx) InChI=1/C37H60O9/c1-21(10-9-14-33(2,3)44-8)22-13-15-36(7)31-25(45-32-30(43)29(42)28(41)26(19-38)46-32)18-24-23(11-12-27(40)34(24,4)5)37(31,20-39)17-16-35(22,36)6/h9,14,18,20-23,25-32,38,40-43H,10-13,15-17,19H2,1-8H3/b14-9+/t21-,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,35-,36+,37-/m1/s1 SMILES (mnx) [CH3:1][C@H:21]([CH2:10]/[CH:9]=[CH:14]/[C:33]([CH3:2])([CH3:3])[O:44][CH3:8])[C@H:22]1[CH2:13][CH2:15][C@@:36]2([CH3:7])[C@@H:31]3[C@@H:25]([O:45][C@H:32]4[C@H:30]([OH:43])[C@@H:29]([OH:42])[C@H:28]([OH:41])[C@@H:26]([CH2:19][OH:38])[O:46]4)[CH:18]=[C:24]4[C@@H:23]([CH2:11][CH2:12][C@H:27]([OH:40])[C:34]4([CH3:4])[CH3:5])[C@:37]3([CH:20]=[O:39])[CH2:17][CH2:16][C@:35]12[CH3:6]

Parent-child relations graph

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