papyriflavonol A

Properties Image MNX_ID MNXM44836 reference chebi:66727 formula C25H26O7 global charge 0 mol weight 438.476 InChIKey NQBROFAEMRVICP-UHFFFAOYSA-N InChI InChI=1S/C25H26O7/c1-12(2)5-7-14-9-15(10-18(27)21(14)28)25-24(31)23(30)20-19(32-25)11-17(26)16(22(20)29)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3 SMILES CC(C)=CCC1=C(O)C(O)=CC(C2=C(O)C(=O)C3=C(O)C(CC=C(C)C)=C(O)C=C3O2)=C1 MNX internals InChI (mnx) InChI=1/C25H26O7/c1-12(2)5-7-14-9-15(10-18(27)21(14)28)25-24(31)23(30)20-19(32-25)11-17(26)16(22(20)29)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3 SMILES (mnx) [CH3:1][C:12]([CH3:2])=[CH:5][CH2:7][C:14]1=[CH:9][C:15]([C:25]2=[C:24]([OH:31])[C:23](=[O:30])[C:20]3=[C:19]([CH:11]=[C:17]([OH:26])[C:16]([CH2:8][CH:6]=[C:13]([CH3:3])[CH3:4])=[C:22]3[OH:29])[O:32]2)=[CH:10][C:18]([OH:27])=[C:21]1[OH:28]

Parent-child relations graph

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