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(Q105146621)
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English
methyl (4aR,7aR)-7-(hydroxymethyl)-2-(4-methoxy-4-oxobutyl)-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 7-(hydroxymethyl)-2-(4-methoxy-4-oxobutyl)-1-oxo-5,7a-dihydro-4aH-cyclopenta[c]pyridine-4-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
323.136887392
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₁NO₆
0 references
canonical SMILES
O=C(OC)C1=CN(C(=O)C2C(=CCC12)CO)CCCC(=O)OC
0 references
isomeric SMILES
COC(=O)CCCN1C=C(C(=O)OC)[C@@H]2CC=C(CO)[C@@H]2C1=O
0 references
found in taxon
Genipa americana
1 reference
stated in
Three new monoterpenoids from the fruit of Genipa americana
Identifiers
InChI
InChI=1S/C16H21NO6/c1-22-13(19)4-3-7-17-8-12(16(21)23-2)11-6-5-10(9-18)14(11)15(17)20/h5,8,11,14,18H,3-4,6-7,9H2,1-2H3/t11-,14-/m0/s1
0 references
InChIKey
KVMRRASZAWOPTJ-FZMZJTMJSA-N
0 references
PubChem CID
162860031
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KVMRRASZAWOPTJ-FZMZJTMJSA-N
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