desoxyhemigossypol

Properties Image MNX_ID MNXM8535 reference metacycM:CPD-9524 formula C15H16O3 global charge 0 mol weight 244.29 InChIKey UACUHHDLYFQIDS-UHFFFAOYSA-N InChI InChI=1S/C15H16O3/c1-7(2)12-9-4-8(3)5-11-13(9)10(6-18-11)14(16)15(12)17/h4-5,7,16-17H,6H2,1-3H3 SMILES CC1=CC2=C3C(=C1)C(C(C)C)=C(O)C(O)=C3CO2 MNX internals InChI (mnx) InChI=1/C15H16O3/c1-7(2)12-9-4-8(3)5-11-13(9)10(6-18-11)14(16)15(12)17/h4-5,7,16-17H,6H2,1-3H3 SMILES (mnx) [CH3:1][CH:7]([CH3:2])[C:12]1=[C:9]2[CH:4]=[C:8]([CH3:3])[CH:5]=[C:11]3[C:13]2=[C:10]([CH2:6][O:18]3)[C:14]([OH:16])=[C:15]1[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0