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(Q72507506)
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chemical compound
3-Hydroxy-9H-xanthen-9-one
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic xanthone
0 references
mass
212.047344116
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₈O₃
0 references
canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)O
0 references
found in taxon
Rhachidosorus mesosorus
1 reference
stated in
Inhibitors of xanthine oxidase from Athyrium mesosorum
Hypericum sampsonii
1 reference
stated in
Sulfonated xanthones from Hypericum sampsonii
Identifiers
InChI
InChI=1S/C13H8O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H
0 references
InChIKey
XCJHDJAODLKGLG-UHFFFAOYSA-N
0 references
CAS Registry Number
3722-51-8
0 references
PubChem CID
5376013
0 references
SureChEMBL ID
SCHEMBL2299504
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCJHDJAODLKGLG-UHFFFAOYSA-N
UniChem compound ID
496906
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30418770
0 references
DSSTOX compound identifier
DTXCID30369617
0 references
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