compound 0064117

Properties Image MNX_ID MNXM1187306 reference envipathM:...a26ab3d8bccd formula C19H20O7 global charge 0 mol weight 360.362 InChIKey FPHOAKDWRDUZIJ-UHFFFAOYSA-N InChI InChI=1S/C19H20O7/c20-16-6-12(17(21)18(22)19(16)26-10-15-9-25-15)5-11-1-3-13(4-2-11)23-7-14-8-24-14/h1-4,6,14-15,20-22H,5,7-10H2 SMILES OC1=CC(CC2=CC=C(OCC3CO3)C=C2)=C(O)C(O)=C1OCC1CO1 MNX internals InChI (mnx) InChI=1/C19H20O7/c20-16-6-12(17(21)18(22)19(16)26-10-15-9-25-15)5-11-1-3-13(4-2-11)23-7-14-8-24-14/h1-4,6,14-15,20-22H,5,7-10H2/t14?,15? SMILES (mnx) [CH:1]1=[CH:3][C:13]([O:23][CH2:7][CH:14]2[CH2:8][O:24]2)=[CH:4][CH:2]=[C:11]1[CH2:5][C:12]1=[CH:6][C:16]([OH:20])=[C:19]([O:26][CH2:10][CH:15]2[CH2:9][O:25]2)[C:18]([OH:22])=[C:17]1[OH:21]

Parent-child relations graph

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