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(Q82253884)
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English
methyl 2,6-dihydroxy-4-quinolinecarboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
quinoline alkaloid
0 references
mass
219.053157768
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₉NO₄
0 references
canonical SMILES
COC(=O)C1=CC(=O)NC2=C1C=C(C=C2)O
0 references
found in taxon
Oryza sativa
1 reference
stated in
A quinolone alkaloid with antioxidant activity from the aleurone layer of anthocyanin-pigmented rice
Identifiers
InChI
InChI=1S/C11H9NO4/c1-16-11(15)8-5-10(14)12-9-3-2-6(13)4-7(8)9/h2-5,13H,1H3,(H,12,14)
0 references
InChIKey
VMFVSNYOKIVXJO-UHFFFAOYSA-N
0 references
CAS Registry Number
66416-75-9
1 reference
InChIKey
VMFVSNYOKIVXJO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=66416-75-9
PubChem CID
10331015
0 references
ChEBI ID
195958
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H9NO4/c1-16-11(15)8-5-10(14)12-9-3-2-6(13)4-7(8)9/h2-5,13H,1H3,(H,12,14)
ChEMBL ID
CHEMBL484460
0 references
UniChem compound ID
151410
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20438225
0 references
DSSTOX compound identifier
DTXCID80389047
0 references
Human Metabolome Database ID
HMDB0039387
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VMFVSNYOKIVXJO-UHFFFAOYSA-N
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