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benzo[a]pyrene diol epoxide I

Properties

Image

Occurences in reactions

MNX_ID

MNXM10781

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

formula

C₂₀H₁₄O₃

charge

mass

302.09429

reference

InChIKey

DQEPMTIXHXSFOR-UHFFFAOYSA-N

InChI

InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H

SMILES

OC1c2cc3ccc4cccc5ccc(c2C2OC2C1O)c3c45

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-159245 reactomeM:R-ALL-159245 CHEBI:30614 chebi:30614	benzo[a]pyrene diol epoxide I 7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol 7,8,8a,9a-tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol 7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide BP 7,8-Diol-9,10-epoxide 2 BPDE Benzo(a)pyrene diol epoxide benzo(a)pyrene diolepoxide I benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
hmdb:HMDB0062470	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide 4-oxahexacyclo[11.6.2.0²,⁸.0³,⁵.0¹⁰,²⁰.0¹⁷,²¹]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol 7,8-BaP-9,10-diol epoxide 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide 7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide 7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene Anti bapde Anti-bapde BP 7,8-Diol-9,10-epoxide 2 BPDE Benzo(a)pyrene 7,8-dihydrodiol 9,10-epoxide Benzo(a)pyrene diol epoxide Benzo(a)pyrene diolepoxide I Benzo(a)pyrene-7,8-diol 9,10-epoxide benzo(a)pyrene diol epoxide
sabiork.compound:22099 sabiorkM:22099 seed.compound:cpd10550 seedM:cpd10550 kegg.compound:C14853 keggC:C14853	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide 7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide
hmdb:HMDB62470 keggC:M_C14853 seedM:M_cpd10550	secondary/obsolete/fantasy identifier