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(Q83070196)
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English
Khellol
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
246.05282342
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₀O₅
0 references
canonical SMILES
COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)CO
0 references
found in taxon
Ammi visnaga
2 references
stated in
A Further Contribution to the gamma-Pyrone Constituents of Ammi visnaga Fruits
stated in
[Analysis of the active constituent of Ammi visnaga]
Pimpinella monoica
1 reference
stated in
Biosynthesis of furanochromones inPimpinella monoica
Cimicifuga simplex
1 reference
stated in
The Structure of Cimifugin, a New Bitter Principle from Cimicifuga simplex WORMSK.
Actaea simplex
1 reference
stated in
The Structure of Cimifugin, a New Bitter Principle from Cimicifuga simplex WORMSK.
Pimpinella wallichiana
1 reference
stated in
Biosynthesis of furanochromones inPimpinella monoica
Identifiers
InChI
InChI=1S/C13H10O5/c1-16-13-8-2-3-17-10(8)5-11-12(13)9(15)4-7(6-14)18-11/h2-5,14H,6H2,1H3
0 references
InChIKey
QBZKHNHPZMJJJI-UHFFFAOYSA-N
0 references
CAS Registry Number
478-79-5
0 references
ChemSpider ID
144309
0 references
PubChem CID
164613
1 reference
matched by identifier from
InChIKey
InChIKey
QBZKHNHPZMJJJI-UHFFFAOYSA-N
UniChem compound ID
8889750
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00197287
1 reference
matched by identifier from
InChIKey
InChIKey
QBZKHNHPZMJJJI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10119778
0 references
KNApSAcK ID
C00051139
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QBZKHNHPZMJJJI-UHFFFAOYSA-N
UNII
QO1J4DA0RG
1 reference
matched by identifier from
InChIKey
InChIKey
QBZKHNHPZMJJJI-UHFFFAOYSA-N
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