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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:34562 - Benzo[a]pyrene-7,8-diol
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ChEBI Ontology
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ChEBI Name
Benzo[a]pyrene-7,8-diol
ChEBI ID
CHEBI:34562
Stars
This entity has been manually annotated by a third party.
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Formula
C20H14O2
Net Charge
0
Average Mass
286.325
Monoisotopic Mass
286.09938
InChI
InChI=1S/C20H14O2/c21-
17-
9-
8-
14-
15-
7-
6-
12-
3-
1-
2-
11-
4-
5-
13(19(15)
18(11)
12)
10-
16(14)
20(17)
22/h1-
10,17,20-
22H
InChIKey
YDXRLMMGARHIIC-UHFFFAOYSA-N
SMILES
OC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
ChEBI Ontology
Outgoing
Benzo[a]pyrene-7,8-diol (
CHEBI:34562
)
is a
pyrenes (
CHEBI:59659
)
Synonyms
Sources
Benzo[a]pyrene-7,8-dihydrodiol
KEGG COMPOUND
Benzo[a]pyrene-7,8-diol
KEGG COMPOUND
Manual Xrefs
Databases
C14852
KEGG COMPOUND
HMDB0060438
HMDB
View more database links
Registry Number
Type
Source
13345-25-0
CAS Registry Number
KEGG COMPOUND
Last Modified
27 January 2016