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(Q44275049)
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English
asperlactone
A biologically active polyketide metabolite produced mainly from aspergillus
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(1-hydroxyethyl)-4-(3-methyloxiran-2-yl)-2H-furan-5-one
1 reference
based on heuristic
inferred from SMILES
chemical structure
Asperlactone skeletal.png
967 × 706; 36 KB
0 references
mass
184.073558864
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(2R)-2-[(1S)-1-hydroxyethyl]-4-[(2R,3R)-3-methyloxiran-2-yl]-2H-furan-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₉H₁₂O₄
0 references
canonical SMILES
O=C1OC(C=C1C2OC2C)C(O)C
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isomeric SMILES
C[C@H]1[C@@H](O1)C2=C[C@@H](OC2=O)[C@H](C)O
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found in taxon
Exophiala
1 reference
stated in
Chlorohydroaspyrones A and B, antibacterial aspyrone derivatives from the marine-derived fungus Exophiala sp.
Aspergillus melleus
3 references
stated in
Biosynthesis of aspyrone and asperlactone, pentaketide metabolites of Aspergillus melleus. Incorporation studies with [1-13C, 18O2]acetate and 18O2 gas
stated in
New polyketide metabolites from Aspergillus melleus: structural and stereochemical studies
stated in
New polyketide metabolites from Aspergillus melleus: structural and stereochemical studies
Identifiers
InChI
InChI=1S/C9H12O4/c1-4(10)7-3-6(9(11)13-7)8-5(2)12-8/h3-5,7-8,10H,1-2H3/t4-,5-,7+,8+/m0/s1
0 references
InChIKey
VMLNPJDEXLLCQG-DGCAKLBHSA-N
0 references
CAS Registry Number
76375-62-7
0 references
PubChem CID
156698
0 references
ChEBI ID
156386
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
23440923
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00227215
0 references
DSSTOX compound identifier
DTXCID00149706
0 references
Probes And Drugs ID
PD019291
0 references
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