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(Q75059539)
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English
2,3-Dihydro-1-benzoxepin derivative 4a
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
236.024021828
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₉ClO₃
0 references
canonical SMILES
O=C(O)C=1C=CC=2OCC(=CCl)C=CC2C1
0 references
isomeric SMILES
O=C(O)c1ccc2c(c1)C=C/C(=C\Cl)CO2
1 reference
based on heuristic
inferred from InChI
found in taxon
Favolaschia tonkinensis
2 references
stated in
Bioactive metabolites from cultures of basidiomycete Favolaschia tonkinensis
stated in
Bioactive metabolites from cultures of basidiomycete Favolaschia tonkinensis
Identifiers
InChI
InChI=1S/C12H9ClO3/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H,14,15)/b8-6+
0 references
InChIKey
WMKQQACRJZCVTG-SOFGYWHQSA-N
2 references
stated in
PubChem
PubChem CID
46886837
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
46886837
language of work or name
English
PubChem CID
46886837
2 references
stated in
PubChem
PubChem CID
46886837
language of work or name
English
matched by identifier from
InChIKey
InChIKey
WMKQQACRJZCVTG-SOFGYWHQSA-N
ChEBI ID
198366
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H9ClO3/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H,14,15)/b8-6+
UniChem compound ID
332514
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000952
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WMKQQACRJZCVTG-SOFGYWHQSA-N
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