6-Hydroxybenzo[a]pyrene

Properties Image MNX_ID MNXM38714 reference chebi:34470 formula C20H12O global charge 0 mol weight 268.315 InChIKey MGTMTTGZMPDIQS-UHFFFAOYSA-N InChI InChI=1S/C20H12O/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11,21H SMILES OC1=C2C=CC3=CC=CC4=CC=C(C5=C1C=CC=C5)C2=C34 MNX internals InChI (mnx) InChI=1/C20H12O/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11,21H SMILES (mnx) [CH:1]1=[CH:2][CH:7]=[C:16]2[C:14](=[CH:6]1)[C:15]1=[CH:10][CH:8]=[C:12]3[CH:4]=[CH:3][CH:5]=[C:13]4[CH:9]=[CH:11][C:17](=[C:20]2[OH:21])[C:19]1=[C:18]34

Parent-child relations graph

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