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9-Hydroxybenzo[a]pyrene

Properties

Image

Occurences in reactions

MNX_ID

MNXM6986

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

formula

C₂₀H₁₂O

charge

mass

268.08882

reference

InChIKey

OBBBXCAFTKLFGZ-UHFFFAOYSA-N

InChI

InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H

SMILES

Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd10255 seedM:cpd10255 CHEBI:34512 chebi:34512 kegg.compound:C14556 keggC:C14556	9-Hydroxybenzo[a]pyrene
hmdb:HMDB0062438	9-Hydroxybenzo[a]pyrene 9-hydroxybenzo(a)Pyrene, 3H-labeled benzo[Def]chrysen-9-ol pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1,3,5,7,9(19),10,12(20),13,15,17-decaen-4-ol
hmdb:HMDB62438 keggC:M_C14556 seedM:M_cpd10255	secondary/obsolete/fantasy identifier