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English
(2S,3R)-3-hydroxy-2-methyl-5-[(2R,3R)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
184.073558864
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
aspyrone
1 reference
based on heuristic
inferred from InChI
(2R,3S)-3-hydroxy-2-methyl-5-[(2S,3R)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₂O₄
0 references
canonical SMILES
O=C1OC(C)C(O)C=C1C2OC2C
0 references
isomeric SMILES
C[C@@H]1OC(=O)C([C@H]2O[C@@H]2C)=C[C@H]1O
0 references
found in taxon
Aspergillus ochraceus
1 reference
stated in
Bactericidal and fungicidal activity ofAspergillus ochraceusmetabolites and some derivatives
Aspergillus melleus
2 references
stated in
Biosynthesis of aspyrone, a metabolite of Aspergillus malleus. Incorporation studies with 14C- and 3H-labelled acetates and malonate
stated in
Studies on fungal metabolites. Part 2. Carbon-13 nuclear magnetic resonance biosynthetic studies on pentaketide metabolites of Aspergillus melleus: 3-(1,2-epoxypropyl)-5,6-dihydro-5-hydroxy-6-methylpyran-2-one and mellein
Identifiers
InChI
InChI=1S/C9H12O4/c1-4-7(10)3-6(9(11)13-4)8-5(2)12-8/h3-5,7-8,10H,1-2H3/t4-,5+,7+,8-/m0/s1
0 references
InChIKey
RCAULRNMJFUWRP-LAHCRNKXSA-N
0 references
PubChem CID
162944453
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RCAULRNMJFUWRP-LAHCRNKXSA-N
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