ent-15-A2-IsoP

Properties Image MNX_ID MNXM33417 reference lipidmapsM:LMFA03110137 formula C20H30O4 global charge 0 mol weight 334.456 InChIKey MYHXHCUNDDAEOZ-HWZGDPEYSA-N InChI InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18-/m0/s1 SMILES CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17+,18-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@H:17](/[CH:14]=[CH:12]/[C@H:16]1[CH:13]=[CH:15][C:19](=[O:22])[C@H:18]1[CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[OH:21]

Parent-child relations graph

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