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benzo[a]pyrene-cis-7,8-dihydrodiol

Properties

Image

Occurences in reactions

MNX_ID

MNXM4477

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	3

formula

C₂₀H₁₄O₂

charge

mass

286.09938

reference

InChIKey

YDXRLMMGARHIIC-FXAWDEMLSA-N

InChI

InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1

SMILES

O[C@H]1C=Cc2c(cc3ccc4cccc5ccc2c3c45)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:81626 chebi:81626	benzo[a]pyrene-cis-7,8-dihydrodiol
envipath:...5382cf2629c3 envipathM:...5382cf2629c3	Benzo(a)pyrene-cis-7,8-dihydrodiol
hmdb:HMDB0060438	Benzo[a]pyrene-7,8-diol 7,8-Dihydro 7,8-dihydroxybenzo(a)pyrene 7,8-Dihydro-7,8-dihydroxybenzopyrene 7,8-Dihydrobenzo(a)pyrene-7,8-diol 7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene BP-7,8 Diol Benzo(a)pyrene 7,8-dihydrodiol Benzo(a)pyrene 7,8-dihydrodiol, (7R-trans)-isomer Benzo(a)pyrene 7,8-dihydrodiol, (7S-trans)-isomer Benzo(a)pyrene 7,8-dihydrodiol, (cis)-isomer Benzo(a)pyrene 7,8-dihydrodiol, (trans)-(+-)-isomer Benzo(a)pyrene 7,8-dihydrodiol, (trans)-isomer Benzo[a]pyrene-7,8-dihydrodiol Benzopyrene-7,8-dihydrodiol benzo(a)pyrene 7,8-diol pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,3,7,9(19),10,12(20),13,15,17-nonaene-5,6-diol trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene trans-Benzopyrene 7,8-dihydrodiol
sabiork.compound:22098 sabiorkM:22098 seed.compound:cpd10549 seedM:cpd10549 CHEBI:34562 chebi:34562 kegg.compound:C14852 keggC:C14852	Benzo[a]pyrene-7,8-diol Benzo[a]pyrene-7,8-dihydrodiol
seed.compound:cpd19541 seedM:cpd19541 kegg.compound:C18275 keggC:C18275	Benzo[a]pyrene-cis-7,8-dihydrodiol
hmdb:HMDB60438 keggC:M_C14852 keggC:M_C18275 seedM:M_cpd10549 seedM:M_cpd19541	secondary/obsolete/fantasy identifier