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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16945 - scytalone
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ChEBI Ontology
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ChEBI Name
scytalone
ChEBI ID
CHEBI:16945
Definition
A cyclic ketone that is 3,4-dihydronaphthalen-1(2
H
)-one substituted by hydroxy groups at positions 3, 6, and 8.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:9064, CHEBI:15069, CHEBI:26615
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Formula
C10H10O4
Net Charge
0
Average Mass
194.18400
Monoisotopic Mass
194.05791
InChI
InChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2
InChIKey
RTWVXIIKUFSDJB-UHFFFAOYSA-N
SMILES
OC1CC(=O)c2c(O)cc(O)cc2C1
ChEBI Ontology
Outgoing
scytalone (
CHEBI:16945
)
has parent hydride
tetralin (
CHEBI:35008
)
scytalone (
CHEBI:16945
)
is a
β-hydroxy ketone (
CHEBI:55380
)
scytalone (
CHEBI:16945
)
is a
aromatic ketone (
CHEBI:76224
)
scytalone (
CHEBI:16945
)
is a
cyclic ketone (
CHEBI:3992
)
scytalone (
CHEBI:16945
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
3,6,8-trihydroxy-3,4-dihydronaphthalen-1(2
H
)-one
Synonyms
Sources
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone
KEGG COMPOUND
Scytalone
KEGG COMPOUND
scytalone
UniProt
Manual Xref
Database
C00779
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2050731
Reaxys Registry Number
Reaxys
49598-85-8
CAS Registry Number
ChemIDplus
Last Modified
31 July 2015