compound 0126996

Properties Image MNX_ID MNXM1188224 reference envipathM:...b69fdec514dc formula C17H29O7 global charge -1 mol weight 345.412 InChIKey JRKXVNIIAIGIHG-UHFFFAOYSA-M InChI InChI=1S/C17H30O7/c18-10-11(19)7-8-13-14(23-13)9-15-17(24-15)12(20)5-3-1-2-4-6-16(21)22/h11-15,17-20H,1-10H2,(H,21,22)/p-1 SMILES O=C([O-])CCCCCCC(O)C1OC1CC1OC1CCC(O)CO MNX internals InChI (mnx) InChI=1/C17H30O7/c18-10-11(19)7-8-13-14(23-13)9-15-17(24-15)12(20)5-3-1-2-4-6-16(21)22/h11-15,17-20H,1-10H2,(H,21,22)/t11?,12?,13?,14?,15?,17? SMILES (mnx) [CH2:1]([CH2:2][CH2:4][CH2:6][C:16](=[O:21])[OH:22])[CH2:3][CH2:5][CH:12]([CH:17]1[CH:15]([CH2:9][CH:14]2[CH:13]([CH2:8][CH2:7][CH:11]([CH2:10][OH:18])[OH:19])[O:23]2)[O:24]1)[OH:20]

Parent-child relations graph

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