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(Q105161681)
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English
(3S)-7-methoxy-3-methoxycarbonyl-2-methylidene-7-oxoheptanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
fatty acid
0 references
mass
244.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R)-7-methoxy-3-methoxycarbonyl-2-methylidene-7-oxoheptanoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₆O₆
0 references
canonical SMILES
O=C(O)C(=C)C(C(=O)OC)CCCC(=O)OC
0 references
isomeric SMILES
C=C(C(=O)O)[C@H](CCCC(=O)OC)C(=O)OC
0 references
found in taxon
Aspergillus niger
1 reference
stated in
Tensyuic acids, new antibiotics produced by Aspergillus niger FKI-2342.
Identifiers
InChI
InChI=1S/C11H16O6/c1-7(10(13)14)8(11(15)17-3)5-4-6-9(12)16-2/h8H,1,4-6H2,2-3H3,(H,13,14)/t8-/m0/s1
0 references
InChIKey
MDFIHAYHEBXNCC-QMMMGPOBSA-N
0 references
PubChem CID
163043776
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDFIHAYHEBXNCC-QMMMGPOBSA-N
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