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9-Hydroxybenzo[a]pyrene-4,5-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM10473

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₂₀H₁₂O₂

charge

mass

284.08373

reference

InChIKey

QMJJLPWCBGOGAF-UHFFFAOYSA-N

InChI

InChI=1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H

SMILES

Oc1ccc2cc3c4c(ccc5cccc(c54)C4OC34)c2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd10551 seedM:cpd10551 CHEBI:34513 chebi:34513 kegg.compound:C14854 keggC:C14854	9-Hydroxybenzo[a]pyrene-4,5-oxide 9-Hydroxybenzo[a]pyrene-4,5-epoxide
hmdb:HMDB0062439	9-Hydroxybenzo[a]pyrene-4,5-oxide 18-oxahexacyclo[10.7.2.0^{3,8}.0^{9,20}.0^{16,21}.0^{17,19}]henicosa-1(20),2,4,6,8,10,12(21),13,15-nonaen-6-ol 9-Hydroxybenzo[a]pyrene-4,5-epoxide 9-OH-BaP-4,5-oxide 9-hydroxybenzo(a)Pyrene-4,5-epoxide 9-hydroxybenzo(a)Pyrene-4,5-oxide
hmdb:HMDB62439 keggC:M_C14854 seedM:M_cpd10551	secondary/obsolete/fantasy identifier