cirsimaritin

Properties Image MNX_ID MNXM39145 reference chebi:81337 formula C17H14O6 global charge 0 mol weight 314.293 InChIKey ZIIAJIWLQUVGHB-UHFFFAOYSA-N InChI InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3 SMILES COC1=C(OC)C(O)=C2C(=O)C=C(C3=CC=C(O)C=C3)OC2=C1 MNX internals InChI (mnx) InChI=1/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3 SMILES (mnx) [CH3:1][O:21][C:14]1=[CH:8][C:13]2=[C:15]([C:11](=[O:19])[CH:7]=[C:12]([C:9]3=[CH:4][CH:6]=[C:10]([OH:18])[CH:5]=[CH:3]3)[O:23]2)[C:16]([OH:20])=[C:17]1[O:22][CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0