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(Q113324931)
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English
(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-)
chemical compound
2-chloro-4-hexanoyl-3,5-dihydroxyphenolate
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Statements
instance of
type of chemical entity
0 references
subclass of
ion
0 references
part of
3-chloro THPH synthase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
25 May 2022
3,5 dichloro-THPH synthase activity
1 reference
reference URL
http://geneontology.org/external2go/rhea2go
retrieved
25 May 2022
mass
257.05861018791
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄ClO₄⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(=O)c1c([O-])cc(O)c(Cl)c1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H15ClO4/c1-2-3-4-5-7(14)10-8(15)6-9(16)11(13)12(10)17/h6,15-17H,2-5H2,1H3/p-1
1 reference
stated in
ChEBI release 2022-06-13
InChIKey
OTRYFPNTAFPSBU-UHFFFAOYSA-M
1 reference
stated in
ChEBI release 2022-06-13
PubChem CID
146672236
1 reference
matched by identifier from
InChIKey
InChIKey
OTRYFPNTAFPSBU-UHFFFAOYSA-M
ChEBI ID
152555
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H15ClO4/c1-2-3-4-5-7(14)10-8(15)6-9(16)11(13)12(10)17/h6,15-17H,2-5H2,1H3/p-1
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