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(Q105136715)
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English
methyl (2Z)-2-[(4Z)-4-[(5R)-5-butyl-5-methylfuran-2-ylidene]-3,5-dioxooxolan-2-ylidene]acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 2-[4-(5-butyl-5-methylfuran-2-ylidene)-3,5-dioxooxolan-2-ylidene]acetate
1 reference
based on heuristic
inferred from SMILES
mass
306.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈O₆
0 references
canonical SMILES
O=C(OC)C=C1OC(=O)C(C1=O)=C2OC(C=C2)(C)CCCC
0 references
isomeric SMILES
CCCC[C@]1(C)C=C/C(=C2/C(=O)O/C(=C\C(=O)OC)C2=O)O1
0 references
found in taxon
Penicillium italicum
1 reference
stated in
Metabolites of Penicillium italicum Wehmer: Isolation and structures of new metabolites including naturally occurring 4-ylidene-acyltetronic acids, italicinic acid and italicic acid.
Identifiers
InChI
InChI=1S/C16H18O6/c1-4-5-7-16(2)8-6-10(22-16)13-14(18)11(21-15(13)19)9-12(17)20-3/h6,8-9H,4-5,7H2,1-3H3/b11-9-,13-10-/t16-/m1/s1
0 references
InChIKey
JXPYUBCGMFPIBF-CRYWVFQLSA-N
0 references
PubChem CID
162923677
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JXPYUBCGMFPIBF-CRYWVFQLSA-N
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