Hemigossypol

Properties Image MNX_ID MNXM8698 reference chebi:5654 formula C15H16O4 global charge 0 mol weight 260.289 InChIKey WWHRTLINNBKCGL-UHFFFAOYSA-N InChI InChI=1S/C15H16O4/c1-7(2)12-9-4-8(3)5-11(17)13(9)10(6-16)14(18)15(12)19/h4-7,17-19H,1-3H3 SMILES CC1=CC2=C(C(C)C)C(O)=C(O)C(C=O)=C2C(O)=C1 MNX internals InChI (mnx) InChI=1/C15H16O4/c1-7(2)12-9-4-8(3)5-11(17)13(9)10(6-16)14(18)15(12)19/h4-7,17-19H,1-3H3 SMILES (mnx) [CH3:1][CH:7]([CH3:2])[C:12]1=[C:9]2[CH:4]=[C:8]([CH3:3])[CH:5]=[C:11]([OH:17])[C:13]2=[C:10]([CH:6]=[O:16])[C:14]([OH:18])=[C:15]1[OH:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0