(-)-anti-BPDE

Properties Image MNX_ID MNXM165248 reference sabiorkM:21094 formula C20H14O3 global charge 0 mol weight 302.329 InChIKey DQEPMTIXHXSFOR-ZGXWSNOMSA-N InChI InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m0/s1 SMILES O[C@H]1[C@H]2O[C@H]2C2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@H]1O)C3=C45 MNX internals InChI (mnx) InChI=1/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:9]2=[CH:4][CH:5]=[C:11]3[CH:8]=[C:13]4[C:16](=[C:12]5[CH:7]=[CH:6][C:10](=[CH:3]1)[C:14]2=[C:15]35)[C@H:19]1[C@@H:20]([C@H:18]([OH:22])[C@H:17]4[OH:21])[O:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0