compound 0062503

Properties Image MNX_ID MNXM1172280 reference envipathM:...cb38371f32a6 formula C18H25O6 global charge -1 mol weight 337.392 InChIKey LJBWYJTZRBQBII-UHFFFAOYSA-M InChI InChI=1S/C18H26O6/c1-3-5-6-8-12(7-4-2)11-24-18(23)15-13(17(21)22)9-10-14(19)16(15)20/h9-10,12,19-20H,3-8,11H2,1-2H3,(H,21,22)/p-1 SMILES CCCCCC(CCC)COC(=O)C1=C(O)C(O)=CC=C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H26O6/c1-3-5-6-8-12(7-4-2)11-24-18(23)15-13(17(21)22)9-10-14(19)16(15)20/h9-10,12,19-20H,3-8,11H2,1-2H3,(H,21,22)/t12? SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:6][CH2:8][CH:12]([CH2:7][CH2:4][CH3:2])[CH2:11][O:24][C:18]([C:15]1=[C:13]([C:17](=[O:21])[OH:22])[CH:9]=[CH:10][C:14]([OH:19])=[C:16]1[OH:20])=[O:23]

Parent-child relations graph

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