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CHEBI:168597 - Niazidin

ChEBI IDCHEBI:168597
ChEBI NameNiazidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2O6S
Net Charge0
Average Mass354.384
Monoisotopic Mass354.08856
SMILESCC1OC(Oc2ccc(CNC(=S)OC#N)cc2)C(O)C(O)C1O
InChIInChI=1S/C15H18N2O6S/c1-8-11(18)12(19)13(20)14(22-8)23-10-4-2-9(3-5-10)6-17-15(24)21-7-16/h2-5,8,11-14,18-20H,6H2,1H3,(H,17,24)
InChIKeyNYQKSLDPYVPTRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Niazidin (CHEBI:168597) is a glycoside (CHEBI:24400)
IUPAC Name 
O-cyano N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate
Manual XrefsDatabases
HMDB0031981HMDB