Momordicin II

Properties Image MNX_ID MNXM128108 reference chebi:172129 formula C36H58O9 global charge 0 mol weight 634.851 InChIKey WCYLDCDQWJYEPO-UHFFFAOYSA-N InChI InChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3 SMILES CC(C)=CC(CC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C)OC1OC(CO)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3/t20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,31?,32?,34?,35?,36? SMILES (mnx) [CH3:1][C:19]([CH3:2])=[CH:14][CH:21]([CH2:15][CH:20]([CH3:3])[CH:22]1[CH2:10][CH2:11][C:35]2([CH3:7])[CH:31]3[CH:25]([OH:39])[CH:16]=[C:24]4[CH:23]([CH2:8][CH2:9][CH:27]([OH:40])[C:33]4([CH3:4])[CH3:5])[C:36]3([CH:18]=[O:38])[CH2:13][CH2:12][C:34]12[CH3:6])[O:44][CH:32]1[CH:30]([OH:43])[CH:29]([OH:42])[CH:28]([OH:41])[CH:26]([CH2:17][OH:37])[O:45]1

Parent-child relations graph

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