Physalolactone C

Properties Image MNX_ID MNXM129660 reference lipidmapsM:LMST01160014 formula C28H37ClO7 global charge 0 mol weight 521.05 InChIKey BSLUVQZIEQFEOT-DWHGKTCXSA-N InChI InChI=1S/C28H37ClO7/c1-14-12-22(36-23(32)15(14)2)26(5,33)27(34)11-9-17-16-13-19(29)28(35)21(31)7-6-20(30)25(28,4)18(16)8-10-24(17,27)3/h6-7,9,16,18-19,21-22,31,33-35H,8,10-13H2,1-5H3/t16-,18-,19-,21-,22+,24-,25-,26-,27-,28-/m0/s1 SMILES CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC=C3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 MNX internals InChI (mnx) InChI=1/C28H37ClO7/c1-14-12-22(36-23(32)15(14)2)26(5,33)27(34)11-9-17-16-13-19(29)28(35)21(31)7-6-20(30)25(28,4)18(16)8-10-24(17,27)3/h6-7,9,16,18-19,21-22,31,33-35H,8,10-13H2,1-5H3/t16-,18-,19-,21-,22+,24-,25-,26-,27-,28-/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[C:15]([CH3:2])[C:23](=[O:32])[O:36][C@@H:22]([C@@:26]([CH3:5])([C@:27]2([OH:34])[CH2:11][CH:9]=[C:17]3[C@@H:16]4[CH2:13][C@H:19]([Cl:29])[C@:28]5([OH:35])[C@@H:21]([OH:31])[CH:7]=[CH:6][C:20](=[O:30])[C@:25]5([CH3:4])[C@H:18]4[CH2:8][CH2:10][C@@:24]32[CH3:3])[OH:33])[CH2:12]1

Parent-child relations graph

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