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(Q105255402)
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English
methyl 4-[(1E)-2-acetyl-4-oxotridec-1-en-1-yl]-6-propylpyridine-3-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyridine alkaloids
0 references
mass
415.272258664
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₇NO₄
0 references
canonical SMILES
O=C(OC)C1=CN=C(C=C1C=C(C(=O)C)CC(=O)CCCCCCCCC)CCC
0 references
isomeric SMILES
CCCCCCCCCC(=O)C/C(=C\c1cc(CCC)ncc1C(=O)OC)C(C)=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Monascus pilosus
1 reference
stated in
Anti-inflammatory compounds from Monascus pilosus-fermented rice
Identifiers
InChI
InChI=1S/C25H37NO4/c1-5-7-8-9-10-11-12-14-23(28)17-20(19(3)27)15-21-16-22(13-6-2)26-18-24(21)25(29)30-4/h15-16,18H,5-14,17H2,1-4H3/b20-15+
0 references
InChIKey
SLLJMDBREKHLTJ-HMMYKYKNSA-N
0 references
PubChem CID
171347456
1 reference
matched by identifier from
InChIKey
InChIKey
SLLJMDBREKHLTJ-HMMYKYKNSA-N
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