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(Q77384553)
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4-O-Acetyl hygrophorone D12
bioactive natural product
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
(5-Hydroxy-4-oxo-5-tridecanoylcyclopent-2-en-1-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
352.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-O-acetyl hygrophorone C12
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1S,5S)-5-hydroxy-4-oxo-5-tridecanoylcyclopent-2-en-1-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₅
0 references
canonical SMILES
O=C(OC1C=CC(=O)C1(O)C(=O)CCCCCCCCCCCC)C
0 references
isomeric SMILES
CCCCCCCCCCCCC(=O)[C@@]1([C@@H](C=CC1=O)OC(=O)C)O
0 references
found in taxon
Hygrophorus latitabundus
1 reference
stated in
Hygrophorones A-G: fungicidal cyclopentenones from Hygrophorus species (Basidiomycetes).
Identifiers
InChI
InChI=1S/C20H32O5/c1-3-4-5-6-7-8-9-10-11-12-13-17(22)20(24)18(23)14-15-19(20)25-16(2)21/h14-15,19,24H,3-13H2,1-2H3/t19-,20-/m1/s1
0 references
InChIKey
NTQWRCCBLDPDFL-WOJBJXKFSA-N
2 references
stated in
PubChem
PubChem CID
21577361
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
21577361
language of work or name
English
PubChem CID
21577361
2 references
stated in
PubChem
PubChem CID
21577361
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NTQWRCCBLDPDFL-WOJBJXKFSA-N
ChEBI ID
204205
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H32O5/c1-3-4-5-6-7-8-9-10-11-12-13-17(22)20(24)18(23)14-15-19(20)25-16(2)21/h14-15,19,24H,3-13H2,1-2H3/t19-,20-/m1/s1
UniChem compound ID
59086496
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007270
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NTQWRCCBLDPDFL-WOJBJXKFSA-N
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