9,10-Dihydroxybenzo[a]pyrene

Properties Image MNX_ID MNXM10462 reference chebi:81629 formula C20H12O2 global charge 0 mol weight 284.314 InChIKey UMJIZEKULDXYAK-UHFFFAOYSA-N InChI InChI=1S/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H SMILES OC1=C(O)C2=C(C=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34 MNX internals InChI (mnx) InChI=1/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H SMILES (mnx) [CH:1]1=[CH:2][C:11]2=[CH:4][CH:5]=[C:13]3[CH:10]=[C:14]4[CH:7]=[CH:9][C:16]([OH:21])=[C:20]([OH:22])[C:19]4=[C:15]4[CH:8]=[CH:6][C:12](=[CH:3]1)[C:17]2=[C:18]34

Parent-child relations graph

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