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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:82611 - 2-
O
,3-dimethylflaviolin
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ChEBI Ontology
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ChEBI Name
2-
O
,3-dimethylflaviolin
ChEBI ID
CHEBI:82611
ChEBI ASCII Name
2-O,3-dimethylflaviolin
Definition
A member of the class of naphthoquinones that is 2-
O
-methylflaviolin in which the hydrogen at position 3 is replaced by a methyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H10O5
Net Charge
0
Average Mass
234.20480
Monoisotopic Mass
234.05282
InChI
InChI=1S/C12H10O5/c1-5-10(15)9-7(11(16)12(5)17-2)3-6(13)4-8(9)14/h3-4,13-14H,1-2H3
InChIKey
MMVQTVRCJUHCSV-UHFFFAOYSA-N
SMILES
COC1=C(C)C(=O)c2c(O)cc(O)cc2C1=O
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-
O
,3-dimethylflaviolin (
CHEBI:82611
)
has functional parent
flaviolin (
CHEBI:42646
)
2-
O
,3-dimethylflaviolin (
CHEBI:82611
)
has role
bacterial metabolite (
CHEBI:76969
)
2-
O
,3-dimethylflaviolin (
CHEBI:82611
)
is a
enol ether (
CHEBI:47985
)
2-
O
,3-dimethylflaviolin (
CHEBI:82611
)
is a
hydroxy-1,4-naphthoquinone (
CHEBI:132157
)
2-
O
,3-dimethylflaviolin (
CHEBI:82611
)
is a
phenols (
CHEBI:33853
)
2-
O
,3-dimethylflaviolin (
CHEBI:82611
)
is conjugate acid of
2-
O
,3-dimethylflaviolin-7-olate (
CHEBI:78589
)
Incoming
2-
O
,3-dimethylflaviolin-7-olate (
CHEBI:78589
)
is conjugate base of
2-
O
,3-dimethylflaviolin (
CHEBI:82611
)
IUPAC Name
5,7-dihydroxy-2-methoxy-3-methyl-1,4-naphthoquinone
Synonym
Source
2-methoxy-3-methylflaviolin
ChEBI
Manual Xref
Database
CPD-16658
MetaCyc
View more database links
Registry Number
Type
Source
9564514
Reaxys Registry Number
Reaxys
Citation
Type
Source
20937800
PubMed citation
Europe PMC
Last Modified
14 April 2020