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Benzo[a]pyrene-7,8-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM7105

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

formula

C₂₀H₁₂O

charge

mass

268.08882

reference

InChIKey

OLLMQFHYRYHKTD-UHFFFAOYSA-N

InChI

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

SMILES

C1=CC2OC2c2cc3ccc4cccc5ccc(c21)c3c45

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd10547 seedM:cpd10547 CHEBI:34563 chebi:34563 kegg.compound:C14850 keggC:C14850	Benzo[a]pyrene-7,8-oxide Benzo[a]pyrene-7,8-epoxide
hmdb:HMDB0060439	Benzo[a]pyrene-7,8-oxide 6-oxahexacyclo[11.6.2.0²,⁸.0⁵,⁷.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1,3,8,10(20),11,13(21),14,16,18-nonaene Benzo(a)pyrene 7,8-epoxide Benzo(a)pyrene 7,8-oxide Benzo(a)pyrene 7,8-oxide, (+-)-isomer Benzo(a)pyrene 7,8-oxide, (6BR)-isomer Benzo(a)pyrene 7,8-oxide, (6BS)-isomer Benzo[a]pyrene-7,8-epoxide benzo(a)pyrene 7,8-oxide
hmdb:HMDB60439 keggC:M_C14850 seedM:M_cpd10547	secondary/obsolete/fantasy identifier