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(Q83084178)
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English
2H-1-Benzopyran-2-one, 6-hydroxy-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
162.031694052
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₆O₃
0 references
canonical SMILES
C1=CC2=C(C=CC(=O)O2)C=C1O
0 references
found in taxon
Amburana cearensis
1 reference
stated in
Amburosides C-H and 6-O-protocatechuoyl coumarin from Amburana cearensis
Grevillea robusta
1 reference
stated in
Phenolic Constituents of Grevillea robusta (Proteaceae). The Structure of Robustol, a Novel Macrocyclic Phenol
Senecio gilliesianus
1 reference
stated in
1-Hydroxyplatyphyllide, a norsesquiterpene lactone from Senecio gilliesiano
Identifiers
InChI
InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
0 references
InChIKey
CJIJXIFQYOPWTF-UHFFFAOYSA-N
0 references
CAS Registry Number
6093-68-1
0 references
PubChem CID
99477
1 reference
matched by identifier from
InChIKey
InChIKey
CJIJXIFQYOPWTF-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL187709
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CJIJXIFQYOPWTF-UHFFFAOYSA-N
UniChem compound ID
109011
1 reference
stated in
UniChem
NMRShiftDB structure ID
10016209
1 reference
matched by identifier from
InChIKey
InChIKey
CJIJXIFQYOPWTF-UHFFFAOYSA-N
DSSTox substance ID
DTXSID70209760
0 references
DSSTOX compound identifier
DTXCID20132251
0 references
NSC number
226192
0 references
UNII
7FS6H939K6
1 reference
matched by identifier from
InChIKey
InChIKey
CJIJXIFQYOPWTF-UHFFFAOYSA-N
Probes And Drugs ID
PD087275
0 references
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