Momordicoside I

Properties Image MNX_ID MNXM128115 reference chebi:169777 formula C36H58O8 global charge 0 mol weight 618.852 InChIKey KJEYALWPYVKAPR-RFIGSTHDSA-N InChI InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+/t21-,22-,23-,24+,25+,26+,27-,28+,29-,30+,33-,34+,35+,36-/m1/s1 SMILES C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C MNX internals InChI (mnx) InChI=1/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+/t21-,22-,23-,24+,25+,26+,27-,28+,29-,30+,33-,34+,35+,36-/m1/s1 SMILES (mnx) [CH3:1][C@H:21]([CH2:9]/[CH:8]=[CH:14]/[C:31]([CH3:2])([CH3:3])[OH:41])[C@H:22]1[CH2:12][CH2:15][C@@:34]2([CH3:7])[C@@H:24]3[CH:13]=[CH:16][C@@:36]45[C@@H:25]([CH2:10][CH2:11][C@H:26]([O:44][C@H:30]6[C@H:29]([OH:40])[C@@H:28]([OH:39])[C@H:27]([OH:38])[C@@H:23]([CH2:19][OH:37])[O:43]6)[C:32]4([CH3:4])[CH3:5])[C@@:35]3([CH2:18][CH2:17][C@:33]12[CH3:6])[CH2:20][O:42]5

Parent-child relations graph

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