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(Q51617490)
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English
5-(3,4-dihydroxyphenyl)pentanoic acid
chemical compound
3,4-dihydroxyphenylvaleric acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
210.089208928
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₄O₄
0 references
canonical SMILES
C1=CC(=C(C=C1CCCCC(=O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)
0 references
InChIKey
KTDWBJGUMIZRHU-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
31129-94-9
0 references
PubChem CID
49831816
1 reference
matched by identifier from
InChIKey
InChIKey
KTDWBJGUMIZRHU-UHFFFAOYSA-N
ChEBI ID
137503
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)
SureChEMBL ID
SCHEMBL17938812
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KTDWBJGUMIZRHU-UHFFFAOYSA-N
UniChem compound ID
32018654
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701341721
1 reference
matched by identifier from
InChIKey
InChIKey
KTDWBJGUMIZRHU-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0029233
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KTDWBJGUMIZRHU-UHFFFAOYSA-N
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