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Pterolactam
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrolidine alkaloid
0 references
mass
115.063328528
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅H₉NO₂
0 references
canonical SMILES
COC1CCC(=O)N1
0 references
found in taxon
Silene baccifera
1 reference
stated in
Chemical Constituents from Fructus Xanthii*
Identifiers
InChI
InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)
0 references
InChIKey
VULIHENHKGDFAB-UHFFFAOYSA-N
0 references
CAS Registry Number
38072-88-7
1 reference
InChIKey
VULIHENHKGDFAB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=38072-88-7
PubChem CID
181561
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
173415
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C5H9NO2/c1-8-5-3-2-4(7)6-5/h5H,2-3H2,1H3,(H,6,7)
UniChem compound ID
24548557
1 reference
stated in
UniChem
NMRShiftDB structure ID
20036216
1 reference
matched by identifier from
InChIKey
InChIKey
VULIHENHKGDFAB-UHFFFAOYSA-N
DSSTox substance ID
DTXSID20959021
0 references
DSSTOX compound identifier
DTXCID701386913
0 references
Human Metabolome Database ID
HMDB0034208
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VULIHENHKGDFAB-UHFFFAOYSA-N
KNApSAcK ID
C00057378
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VULIHENHKGDFAB-UHFFFAOYSA-N
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