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(Q63409814)
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English
Decarestrictine F
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Methyl-4,11-dioxabicyclo[8.1.0]undec-8-ene-5,7-dione
1 reference
based on heuristic
inferred from SMILES
mass
196.073558864
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,3R,8E,10R)-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-ene-5,7-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₂O₄
0 references
canonical SMILES
O=C1OC(C)CC2OC2C=CC(=O)C1
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isomeric SMILES
C[C@@H]1C[C@H]2[C@H](O2)/C=C\C(=O)CC(=O)O1
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found in taxon
Penicillium simplicissimum
1 reference
stated in
A non-enzymatic reaction in the late biosynthesis of the decarestrictine family
Penicillium
1 reference
stated in
Secondary metabolites by chemical screening. 20. Decarestrictines, a new family of inhibitors of cholesterol biosynthesis from Penicillium: III. Decarestrictines E to M
Identifiers
InChI
InChI=1S/C10H12O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6,8-9H,4-5H2,1H3/b3-2-/t6-,8-,9+/m1/s1
0 references
InChIKey
MXRJZFNJVFPSQN-NQRYBKARSA-N
0 references
PubChem CID
101635652
1 reference
matched by identifier from
InChIKey
InChIKey
MXRJZFNJVFPSQN-NQRYBKARSA-N
ChEBI ID
204074
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H12O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6,8-9H,4-5H2,1H3/b3-2-/t6-,8-,9+/m1/s1
UniChem compound ID
97343828
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-AAFC-AC000767
0 references
MSBNK-AAFC-AC000768
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MSBNK-AAFC-AC000769
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MSBNK-AAFC-AC000770
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DSSTox substance ID
DTXSID20894004
1 reference
matched by identifier from
InChIKey
InChIKey
MXRJZFNJVFPSQN-NQRYBKARSA-N
DSSTOX compound identifier
DTXCID201324047
0 references
Natural Product Atlas ID
NPA007123
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXRJZFNJVFPSQN-NQRYBKARSA-N
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