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ChEBI
> Main
CHEBI:82590 - 7,12-Dimethylbenz[a]anthracene 5,6-oxide
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ChEBI Ontology
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ChEBI Name
7,12-Dimethylbenz[a]anthracene 5,6-oxide
ChEBI ID
CHEBI:82590
Stars
This entity has been manually annotated by a third party.
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Formula
C20H16O
Net Charge
0
Average Mass
272.34040
Monoisotopic Mass
272.12012
InChI
InChI=1S/C20H16O/c1-
11-
13-
7-
3-
4-
8-
14(13)
12(2)
18-
17(11)
15-
9-
5-
6-
10-
16(15)
19-
20(18)
21-
19/h3-
10,19-
20H,1-
2H3
InChIKey
HVGNLIKFFBYBQM-UHFFFAOYSA-N
SMILES
Cc1c2C3OC3c3ccccc3-c2c(C)c2ccccc12
ChEBI Ontology
Outgoing
7,12-Dimethylbenz[a]anthracene 5,6-oxide (
CHEBI:82590
)
is a
epoxide (
CHEBI:32955
)
Synonym
Source
DMBA-5,6-epoxide
KEGG COMPOUND
Manual Xrefs
Databases
C19604
KEGG COMPOUND
HMDB0060422
HMDB
View more database links
Registry Number
Type
Source
39834-38-3
CAS Registry Number
KEGG COMPOUND
Last Modified
12 May 2016