compound 0198075

Properties Image MNX_ID MNXM1174256 reference envipathM:...ac6477d16d49 formula C13H21O5 global charge -1 mol weight 257.306 InChIKey GXBGGOJPKXXYQX-UHFFFAOYSA-M InChI InChI=1S/C13H22O5/c1-2-4-9(14)5-3-6-11-12(18-11)8-7-10(15)13(16)17/h3,5,9-12,14-15H,2,4,6-8H2,1H3,(H,16,17)/p-1 SMILES CCCC(O)C=CCC1OC1CCC(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22O5/c1-2-4-9(14)5-3-6-11-12(18-11)8-7-10(15)13(16)17/h3,5,9-12,14-15H,2,4,6-8H2,1H3,(H,16,17)/b5-3?/t9?,10?,11?,12? SMILES (mnx) [CH3:1][CH2:2][CH2:4][CH:9]([CH:5]=[CH:3][CH2:6][CH:11]1[CH:12]([CH2:8][CH2:7][CH:10]([C:13](=[O:16])[OH:17])[OH:15])[O:18]1)[OH:14]

Parent-child relations graph

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