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Benzo[a]pyrene-9,10-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM7106

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

formula

C₂₀H₁₂O

charge

mass

268.08882

reference

InChIKey

GOEJUYABKOTLJA-UHFFFAOYSA-N

InChI

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

SMILES

C1=CC2OC2c2c1cc1ccc3cccc4ccc2c1c34

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd10546 seedM:cpd10546 CHEBI:34564 chebi:34564 kegg.compound:C14849 keggC:C14849	Benzo[a]pyrene-9,10-oxide Benzo[a]pyrene-9,10-epoxide
bigg.metabolite:C14849 biggM:C14849	Benzo[a]pyrene-9,10-oxide
hmdb:HMDB0060090	Benzo[a]pyrene-9,10-oxide 4-oxahexacyclo[11.6.2.0²,⁸.0³,⁵.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1(20),2(8),6,9,11,13(21),14,16,18-nonaene Benzo(a)pyrene 9,10-oxide Benzo(a)pyrene 9,10-oxide, (+-)-isomer Benzo[a]pyrene-9,10-epoxide benzo(a)pyrene 9,10-oxide
hmdb:HMDB60090 biggM:M_C14849 keggC:M_C14849 seedM:M_cpd10546	secondary/obsolete/fantasy identifier