Kipukasin I (CHEBI:197589)

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CHEBI:197589 - Kipukasin I

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ChEBI ID	CHEBI:197589
ChEBI Name	Kipukasin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H20N2O9
Net Charge	0
Average Mass	408.363
Monoisotopic Mass	408.11688
SMILES	COc1cc(O)cc(C)c1C(=O)O[C@H]1[C@@H](O)[C@H](n2ccc(=O)nc2=O)O[C@@H]1CO
InChI	InChI=1S/C18H20N2O9/c1-8-5-9(22)6-10(27-2)13(8)17(25)29-15-11(7-21)28-16(14(15)24)20-4-3-12(23)19-18(20)26/h3-6,11,14-16,21-22,24H,7H2,1-2H3,(H,19,23,26)/t11-,14-,15-,16-/m1/s1
InChIKey	LOUBNBRAJPSMEC-RAEVTNRLSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus versicolor (ncbitaxon:46472)	-	PubMed (24670197)

ChEBI Ontology

Outgoing Relation(s)
	Kipukasin I (CHEBI:197589) is a pyrimidine nucleoside (CHEBI:26440)

IUPAC Name
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate

Manual Xrefs	Databases
32675035	ChemSpider