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CHEBI:214666 - 12alpha-Deoxy-decarbamoylsaxitoxin

ChEBI IDCHEBI:214666
ChEBI Name12alpha-Deoxy-decarbamoylsaxitoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O2
Net Charge0
Average Mass240.267
Monoisotopic Mass240.13347
SMILESNC1=N[C@H]2[C@H](CO)N=C(N)N3CC[C@H](O)[C@]23N1
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-WWSLTDMBSA-N
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
12alpha-Deoxy-decarbamoylsaxitoxin (CHEBI:214666) has role marine metabolite (CHEBI:76507)
12alpha-Deoxy-decarbamoylsaxitoxin (CHEBI:214666) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(3aS,4R,10S,10aS)-2,6-diamino-4-(hydroxymethyl)-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol