Cyclopassifloside I

Properties Image MNX_ID MNXM124105 reference chebi:176293 formula C37H62O12 global charge 0 mol weight 698.891 InChIKey JAWKFBIRZLWWEU-UHFFFAOYSA-N InChI InChI=1S/C37H62O12/c1-18(2)36(47,17-39)14-21(40)19(3)20-9-10-33(5)23-7-8-24-34(6,31(46)49-30-29(45)28(44)27(43)22(15-38)48-30)25(41)13-26(42)37(24)16-35(23,37)12-11-32(20,33)4/h18-30,38-45,47H,7-17H2,1-6H3 SMILES CC(C(O)CC(O)(CO)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12C MNX internals InChI (mnx) InChI=1/C37H62O12/c1-18(2)36(47,17-39)14-21(40)19(3)20-9-10-33(5)23-7-8-24-34(6,31(46)49-30-29(45)28(44)27(43)22(15-38)48-30)25(41)13-26(42)37(24)16-35(23,37)12-11-32(20,33)4/h18-30,38-45,47H,7-17H2,1-6H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37? SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C:36]([CH2:14][CH:21]([CH:19]([CH3:3])[CH:20]1[CH2:9][CH2:10][C:33]2([CH3:5])[CH:23]3[CH2:7][CH2:8][CH:24]4[C:34]([CH3:6])([C:31](=[O:46])[O:49][CH:30]5[CH:29]([OH:45])[CH:28]([OH:44])[CH:27]([OH:43])[CH:22]([CH2:15][OH:38])[O:48]5)[CH:25]([OH:41])[CH2:13][CH:26]([OH:42])[C:37]45[CH2:16][C:35]35[CH2:12][CH2:11][C:32]12[CH3:4])[OH:40])([CH2:17][OH:39])[OH:47]

Parent-child relations graph

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