daphnoretin

Properties Image MNX_ID MNXM48757 reference chebi:4324 formula C19H12O7 global charge 0 mol weight 352.298 InChIKey JRHMMVBOTXEHGJ-UHFFFAOYSA-N InChI InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3 SMILES COC1=CC2=C(C=C1O)OC(=O)C(OC1=CC3=C(C=CC(=O)O3)C=C1)=C2 MNX internals InChI (mnx) InChI=1/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3 SMILES (mnx) [CH3:1][O:23][C:16]1=[C:13]([OH:20])[CH:9]=[C:15]2[C:11](=[CH:6]1)[CH:7]=[C:17]([O:24][C:12]1=[CH:8][C:14]3=[C:10]([CH:2]=[CH:4]1)[CH:3]=[CH:5][C:18](=[O:21])[O:25]3)[C:19](=[O:22])[O:26]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0