1-(9S,13S-12-oxo-10,15Z-phytodienoyl)-2-(7Z,10Z,13Z)-hexadecatrienoyl-3-O-(beta-D-galactosyl)-sn-glycerol

Properties Image MNX_ID MNXM163077 reference chebi:90577 formula C43H68O11 global charge 0 mol weight 761.006 InChIKey CWRWJDAEKWYUJT-CGKXPTHNSA-N InChI InChI=1S/C43H68O11/c1-3-5-7-8-9-10-11-12-13-14-15-18-23-27-39(47)53-34(32-52-43-42(50)41(49)40(48)37(30-44)54-43)31-51-38(46)26-22-19-16-17-21-24-33-28-29-36(45)35(33)25-20-6-4-2/h5-7,9-10,12-13,20,28-29,33-35,37,40-44,48-50H,3-4,8,11,14-19,21-27,30-32H2,1-2H3/b7-5-,10-9-,13-12-,20-6-/t33-,34+,35-,37+,40-,41-,42+,43+/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C43H68O11/c1-3-5-7-8-9-10-11-12-13-14-15-18-23-27-39(47)53-34(32-52-43-42(50)41(49)40(48)37(30-44)54-43)31-51-38(46)26-22-19-16-17-21-24-33-28-29-36(45)35(33)25-20-6-4-2/h5-7,9-10,12-13,20,28-29,33-35,37,40-44,48-50H,3-4,8,11,14-19,21-27,30-32H2,1-2H3/b7-5-,10-9-,13-12-,20-6-/t33-,34+,35-,37+,40-,41-,42+,43+/m0/s1 SMILES (mnx) [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:18][CH2:23][CH2:27][C:39](=[O:47])[O:53][C@H:34]([CH2:31][O:51][C:38]([CH2:26][CH2:22][CH2:19][CH2:16][CH2:17][CH2:21][CH2:24][C@H:33]1[CH:28]=[CH:29][C:36](=[O:45])[C@H:35]1[CH2:25]/[CH:20]=[CH:6]\[CH2:4][CH3:2])=[O:46])[CH2:32][O:52][C@H:43]1[C@H:42]([OH:50])[C@@H:41]([OH:49])[C@@H:40]([OH:48])[C@@H:37]([CH2:30][OH:44])[O:54]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0