Benzo[a]pyrene-cis-11,12-dihydrodiol

Properties Image MNX_ID MNXM10783 reference chebi:81635 formula C20H14O2 global charge 0 mol weight 286.33 InChIKey SGHZUKBSLLOHPU-UXHICEINSA-N InChI InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20+/m1/s1 SMILES O[C@@H]1C2=C3C(=CC=C2)C=CC2=CC4=C(C=CC=C4)C(=C23)[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H14O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,19-22H/t19-,20+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:14]2[C:12](=[CH:4]1)[CH:10]=[C:13]1[CH:9]=[CH:8][C:11]3=[C:16]4[C:15](=[CH:7][CH:3]=[CH:5]3)[C@@H:19]([OH:21])[C@@H:20]([OH:22])[C:18]2=[C:17]14

Parent-child relations graph

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