2,3-Dehydrosilybin

Properties Image MNX_ID MNXM116314 reference chebi:172705 formula C25H20O10 global charge 0 mol weight 480.425 InChIKey BVKQRAYKLBRNIK-UHFFFAOYSA-N InChI InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3 SMILES COC1=C(O)C=CC(C2OC3=C(C=CC(C4=C(O)C(=O)C5=C(C=C(O)C=C5O)O4)=C3)OC2CO)=C1 MNX internals InChI (mnx) InChI=1/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3/t20?,24? SMILES (mnx) [CH3:1][O:32][C:17]1=[C:14]([OH:28])[CH:4]=[CH:2][C:11]([CH:24]2[CH:20]([CH2:10][OH:26])[O:33][C:16]3=[C:18]([CH:7]=[C:12]([C:25]4=[C:23]([OH:31])[C:22](=[O:30])[C:21]5=[C:15]([OH:29])[CH:8]=[C:13]([OH:27])[CH:9]=[C:19]5[O:35]4)[CH:3]=[CH:5]3)[O:34]2)=[CH:6]1

Parent-child relations graph

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