compound 0136113

Properties Image MNX_ID MNXM1180050 reference envipathM:...73e80df20f64 formula C17H27O5 global charge -1 mol weight 311.398 InChIKey DJAQKSYCOWKDBJ-UHFFFAOYSA-M InChI InChI=1S/C17H28O5/c1-2-7-14(18)10-12-16(20)13-11-15(19)8-5-3-4-6-9-17(21)22/h10-13,15-16,19-20H,2-9H2,1H3,(H,21,22)/p-1 SMILES CCCC(=O)C=CC(O)C=CC(O)CCCCCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C17H28O5/c1-2-7-14(18)10-12-16(20)13-11-15(19)8-5-3-4-6-9-17(21)22/h10-13,15-16,19-20H,2-9H2,1H3,(H,21,22)/b12-10?,13-11?/t15?,16? SMILES (mnx) [CH3:1][CH2:2][CH2:7][C:14]([CH:10]=[CH:12][CH:16]([CH:13]=[CH:11][CH:15]([CH2:8][CH2:5][CH2:3][CH2:4][CH2:6][CH2:9][C:17](=[O:21])[OH:22])[OH:19])[OH:20])=[O:18]

Parent-child relations graph

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