3-Hydroxybenzo[a]pyrene

Properties Image MNX_ID MNXM36511 reference chebi:34337 formula C20H12O global charge 0 mol weight 268.315 InChIKey SPUUWWRWIAEPDB-UHFFFAOYSA-N InChI InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H SMILES OC1=C2C=CC3=CC4=C(C=CC=C4)C4=CC=C(C=C1)C2=C34 MNX internals InChI (mnx) InChI=1/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:15]2[C:13](=[CH:3]1)[CH:11]=[C:14]1[CH:6]=[CH:9][C:17]3=[C:18]([OH:21])[CH:10]=[CH:7][C:12]4=[CH:5][CH:8]=[C:16]2[C:20]1=[C:19]43

Parent-child relations graph

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