Clitocine (CHEBI:178144)

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CHEBI:178144 - Clitocine

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ChEBI ID	CHEBI:178144
ChEBI Name	Clitocine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H13N5O6
Net Charge	0
Average Mass	287.232
Monoisotopic Mass	287.08658
SMILES	Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+](=O)[O-]
InChI	InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
InChIKey	OHEMBWZZEKCBAS-UUOKFMHZSA-N

Species of Metabolite	Component	Source	Comments
Arisaema erubescens (ncbitaxon:228806)	bulb (BTO:0000159)	MetaboLights (MTBLS2858)

ChEBI Ontology

Outgoing Relation(s)
	Clitocine (CHEBI:178144) is a N-glycosyl compound (CHEBI:21731)

IUPAC Name
(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol

Manual Xrefs	Databases
114380	ChemSpider

Registry Numbers	Sources
CAS:105798-74-1	ChemIDplus