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CHEBI:222121 - 12,12-Dideoxydecarbamoylsaxitoxin

ChEBI IDCHEBI:222121
ChEBI Name12,12-Dideoxydecarbamoylsaxitoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O
Net Charge0
Average Mass224.268
Monoisotopic Mass224.13856
SMILESNC1=N[C@H]2[C@H](CO)N=C(N)N3CCC[C@]23N1
InChIInChI=1S/C9H16N6O/c10-7-13-6-5(4-16)12-8(11)15-3-1-2-9(6,15)14-7/h5-6,16H,1-4H2,(H2,11,12)(H3,10,13,14)/t5-,6-,9+/m0/s1
InChIKeyJFYZIJPKLXIKLJ-ATVXKPNKSA-N
Species of MetaboliteComponentSourceComments
Dolichospermum (ncbitaxon:748770) - PubMed (30471380)
ChEBI Ontology
Outgoing Relation(s)
12,12-Dideoxydecarbamoylsaxitoxin (CHEBI:222121) is a imidazopyrimidine (CHEBI:35875)
IUPAC Name 
[(3aS,4R,10aR)-2,6-diamino-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methanol