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Benzo[a]pyrene-4,5-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM7104

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	5

formula

C₂₀H₁₂O

charge

mass

268.08882

reference

InChIKey

XGZQLNASOQVQTD-UHFFFAOYSA-N

InChI

InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H

SMILES

c1ccc2c(c1)cc1c3c2ccc2cccc(c23)C2OC12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34560 chebi:34560 kegg.compound:C14851 keggC:C14851	Benzo[a]pyrene-4,5-oxide Benzo[a]pyrene-4,5-epoxide
bigg.metabolite:C14851 biggM:C14851	Benzo[a]pyrene-4,5-oxide
hmdb:HMDB0060091	Benzo[a]pyrene-4,5-oxide 18-oxahexacyclo[10.7.2.0³,⁸.0⁹,²⁰.0¹⁶,²¹.0¹⁷,¹⁹]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene 3b,4a-Dihydrobenzo(1,2)pyreno(4,5-b)oxirene 4,5-Dihydro-4,5-epoxybenzo(a)pyrene Benzo(a)pyrene 4,5-epoxide Benzo(a)pyrene 4,5-epoxide, (+-)-isomer Benzo(a)pyrene 4,5-oxide Benzo[a]pyrene-4,5-epoxide benzo(a)pyrene 4,5-oxide
seed.compound:cpd10548 seedM:cpd10548	Benzo[a]pyrene-4,5-oxide Benzo[a]pyrene-4,5-epoxide benzo[a]pyrene-4,5-oxide
metacyc.compound:CPD-20309 metacycM:CPD-20309	benzo[a]pyrene-4,5-oxide
hmdb:HMDB60091 biggM:M_C14851 keggC:M_C14851 seedM:M_cpd10548	secondary/obsolete/fantasy identifier