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(Q82022381)
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English
5-(4-hydroxy-3-methoxyphenyl)pentanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
224.104858992
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆O₄
0 references
canonical SMILES
COC1=C(C=CC(=C1)CCCCC(=O)O)O
0 references
Identifiers
InChI
InChI=1S/C12H16O4/c1-16-11-8-9(6-7-10(11)13)4-2-3-5-12(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)
0 references
InChIKey
JQQIWBPHESZYNN-UHFFFAOYSA-N
0 references
CAS Registry Number
6342-85-4
0 references
PubChem CID
240452
1 reference
matched by identifier from
InChIKey
InChIKey
JQQIWBPHESZYNN-UHFFFAOYSA-N
ChEBI ID
190376
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H16O4/c1-16-11-8-9(6-7-10(11)13)4-2-3-5-12(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)
UniChem compound ID
24017987
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80286608
1 reference
matched by identifier from
InChIKey
InChIKey
JQQIWBPHESZYNN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80237756
0 references
NSC number
46655
0 references
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