Cyclopassifloic acid E

Properties Image MNX_ID MNXM124104 reference chebi:172740 formula C31H52O8 global charge 0 mol weight 552.749 InChIKey DXAVXXNAJINCIJ-UHFFFAOYSA-N InChI InChI=1S/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37) SMILES CC(C)C(O)(CO)CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C MNX internals InChI (mnx) InChI=1/C31H52O8/c1-17(2)30(39,16-32)12-10-27(5,38)23-18(33)14-26(4)19-7-8-20-28(6,24(36)37)21(34)13-22(35)31(20)15-29(19,31)11-9-25(23,26)3/h17-23,32-35,38-39H,7-16H2,1-6H3,(H,36,37)/t18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,31? SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C:30]([CH2:12][CH2:10][C:27]([CH3:5])([CH:23]1[CH:18]([OH:33])[CH2:14][C:26]2([CH3:4])[CH:19]3[CH2:7][CH2:8][CH:20]4[C:28]([CH3:6])([C:24](=[O:36])[OH:37])[CH:21]([OH:34])[CH2:13][CH:22]([OH:35])[C:31]45[CH2:15][C:29]35[CH2:11][CH2:9][C:25]12[CH3:3])[OH:38])([CH2:16][OH:32])[OH:39]

Parent-child relations graph

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