Pyriferine A (CHEBI:209634)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209634 - Pyriferine A

Take structure to advanced search

ChEBI ID	CHEBI:209634
ChEBI Name	Pyriferine A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H24N2O7
Net Charge	0
Average Mass	356.375
Monoisotopic Mass	356.15835
SMILES	CO[C@H]1CC[C@@](C)(O)C(=C(O)C2(C)NC(=O)CC[C@@H](N)C(=O)O2)C1=O
InChI	InChI=1S/C16H24N2O7/c1-15(23)7-6-9(24-3)12(20)11(15)13(21)16(2)18-10(19)5-4-8(17)14(22)25-16/h8-9,21,23H,4-7,17H2,1-3H3,(H,18,19)/t8-,9+,15-,16?/m1/s1
InChIKey	HIOTXNMZYVEMGZ-PUFAUJBQSA-N

Species of Metabolite	Component	Source	Comments
Pseudobaeospora pyrifera (ncbitaxon:182862)	-	PubMed (18771319)

ChEBI Ontology

Outgoing Relation(s)
	Pyriferine A (CHEBI:209634) is a α-amino acid ester (CHEBI:46874)

IUPAC Name
(7R)-7-amino-2-[hydroxy-[(2R,5S)-2-hydroxy-5-methoxy-2-methyl-6-oxocyclohexylidene]methyl]-2-methyl-1,3-oxazocane-4,8-dione

Manual Xrefs	Databases
78437941	ChemSpider