Penicitriketo (CHEBI:226843)

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CHEBI:226843 - Penicitriketo

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ChEBI ID	CHEBI:226843
ChEBI Name	Penicitriketo
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H18O9
Net Charge	0
Average Mass	306.267
Monoisotopic Mass	306.09508
SMILES	CC(=O)C1(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CO1
InChI	InChI=1S/C12H18O9/c1-5(14)12(18)2-6(4-19-12)20-11-10(17)9(16)8(15)7(3-13)21-11/h2,7-11,13,15-18H,3-4H2,1H3/t7-,8-,9+,10-,11-,12?/m1/s1
InChIKey	BWBYOMWIDCKMAI-LNMZYWNMSA-N

Species of Metabolite	Component	Source	Comments
Penicillium citrinum (ncbitaxon:5077)	-	PubMed (24535256)

ChEBI Ontology

Outgoing Relation(s)
	Penicitriketo (CHEBI:226843) is a glycoside (CHEBI:24400)

IUPAC Name
1-[5-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-uran-5-yl]ethanone

Manual Xrefs	Databases
32674568	ChemSpider