Pipermethystine (CHEBI:157726)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Pipermethystine

ChEBI ID	CHEBI:157726

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C16H17NO4

Net Charge

Average Mass

287.315

Monoisotopic Mass

287.11576

InChI

InChI=1S/C16H17NO4/c1-12(18)21-14-8-10-16(20)17(11-14)15(19)9-7-13-5-3-2-4-6-13/h2-6,8,10,14H,7,9,11H2,1H3

InChIKey

JLNNQCUATONMIT-UHFFFAOYSA-N

SMILES

O(C1CN(C(=O)CCC2=CC=CC=C2)C(=O)C=C1)C(=O)C

Metabolite of Species	Details
Piper methysticum (NCBI:txid130404)	Found in stem (BTO:0001300). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
Piper methysticum (NCBI:txid130404)	Found in crown root (PO:0000043). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study
Piper methysticum (NCBI:txid130404)	Found in lateral root (BTO:0005441). of strain Piper methysticum cv. Loa Kasa Leka See: MetaboLights Study

ChEBI Ontology
Outgoing	Pipermethystine (CHEBI:157726) is a dihydropyridine (CHEBI:50075)

IUPAC Name

[6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl] acetate

Registry Number	Type	Source
71627-22-0	CAS Registry Number	ChemIDplus