CJ-16,196 (CHEBI:225190)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225190 - CJ-16,196

Take structure to advanced search

ChEBI ID	CHEBI:225190
ChEBI Name	CJ-16,196
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H21NO4
Net Charge	0
Average Mass	327.380
Monoisotopic Mass	327.14706
SMILES	C/C(=C\[C@@]1(C)c2c(c(-c3ccccc3)cnc2=O)O[C@H]1O)C(C)O
InChI	InChI=1S/C19H21NO4/c1-11(12(2)21)9-19(3)15-16(24-18(19)23)14(10-20-17(15)22)13-7-5-4-6-8-13/h4-10,12,18,21,23H,1-3H3,(H,20,22)/b11-9+/t12?,18-,19+/m1/s1
InChIKey	UHCZAGPGRURPHV-DOHRTDMTSA-N

Species of Metabolite	Component	Source	Comments
Cladobotryum (ncbitaxon:73504)	-	PubMed (11918067)

ChEBI Ontology

Outgoing Relation(s)
	CJ-16,196 (CHEBI:225190) is a phenylpyridine (CHEBI:38193)

IUPAC Name
(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrouro[3,2-c]pyridin-4-one

Manual Xrefs	Databases
78437769	ChemSpider