Benzo[a]pyrene-cis-4,5-dihydrodiol

Properties Image MNX_ID MNXM10784 reference chebi:81621 formula C20H14O2 global charge 0 mol weight 286.33 InChIKey OYOQHRXJXXTZII-UXHICEINSA-N InChI InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20+/m1/s1 SMILES O[C@@H]1C2=CC=CC3=CC=C4C5=C(C=CC=C5)C=C(C4=C32)[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:13]2[C:12](=[CH:4]1)[CH:10]=[C:16]1[C:18]3=[C:17]4[C:11](=[CH:8][CH:9]=[C:14]23)[CH:5]=[CH:3][CH:7]=[C:15]4[C@@H:19]([OH:21])[C@H:20]1[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0