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(Q82439434)
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English
7-Hydroxy-2-oxo-2H-1-benzopyran-6-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
190.026608672
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₆O₄
0 references
canonical SMILES
C1=CC(=O)OC2=CC(=C(C=C21)C=O)O
0 references
found in taxon
Citrus
1 reference
stated in
A new flavonoid and other new components from Citrus plants.
Citrus medica
1 reference
stated in
New coumarins from some Citrus plants.
Aegle marmelos
1 reference
stated in
Alkaloid and coumarins from the green fruits of Aegle marmelos.
Identifiers
InChI
InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H
0 references
InChIKey
YYVVBACXPUHKFH-UHFFFAOYSA-N
0 references
CAS Registry Number
881-61-8
0 references
PubChem CID
14213968
1 reference
matched by identifier from
InChIKey
InChIKey
YYVVBACXPUHKFH-UHFFFAOYSA-N
ChEBI ID
173904
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H6O4/c11-5-7-3-6-1-2-10(13)14-9(6)4-8(7)12/h1-5,12H
UniChem compound ID
32010761
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10557494
1 reference
matched by identifier from
InChIKey
InChIKey
YYVVBACXPUHKFH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80508276
0 references
Human Metabolome Database ID
HMDB0039147
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YYVVBACXPUHKFH-UHFFFAOYSA-N
KNApSAcK ID
C00019872
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YYVVBACXPUHKFH-UHFFFAOYSA-N
UNII
Z2527KE3HX
1 reference
matched by identifier from
InChIKey
InChIKey
YYVVBACXPUHKFH-UHFFFAOYSA-N
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