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CHEBI:188785 - Decarbamoyl-alpha-saxitoxinol

ChEBI IDCHEBI:188785
ChEBI NameDecarbamoyl-alpha-saxitoxinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O2
Net Charge0
Average Mass240.267
Monoisotopic Mass240.13347
SMILES[H][C@@]12N=C(N)N[C@@]13[C@H](O)CCN3C(N)=N[C@H]2CO
InChIInChI=1S/C9H16N6O2/c10-7-13-6-4(3-16)12-8(11)15-2-1-5(17)9(6,15)14-7/h4-6,16-17H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5+,6-,9+/m0/s1
InChIKeyAIOWIOMRQZYDEM-SOVPELCUSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
Decarbamoyl-alpha-saxitoxinol (CHEBI:188785) has role marine metabolite (CHEBI:76507)
Decarbamoyl-alpha-saxitoxinol (CHEBI:188785) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(3aS,4R,10R,10aS)-2,6-diamino-4-(hydroxymethyl)-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol
Manual XrefsDatabases
44210976ChemSpider
Registry NumbersSources
CAS:75352-31-7ChemIDplus