Annopentocin A

Properties Image MNX_ID MNXM119213 reference chebi:191633 formula C35H64O8 global charge 0 mol weight 612.889 InChIKey ZPRYGZNEAVBQEP-DWFITEHMSA-N InChI InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31+,32+,33-,34-/m0/s1 SMILES CCCCCCCCCCCC[C@@H](O)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1 MNX internals InChI (mnx) InChI=1/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31+,32+,33-,34-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:15][CH2:18][C@H:31]([C@@H:32]([CH2:20][CH2:21][C@@H:33]([C@@H:34]1[CH2:22][CH2:19][C@@H:30]([CH2:25][C@@H:29]([CH2:17][CH2:14][CH2:12][CH2:13][CH2:16][C@H:28]([CH2:24][C:27]2=[CH:23][C@H:26]([CH3:2])[O:42][C:35]2=[O:41])[OH:36])[OH:37])[O:43]1)[OH:40])[OH:39])[OH:38]

Parent-child relations graph

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