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CHEBI:178170 - N'-Hydroxyneosaxitoxin

ChEBI IDCHEBI:178170
ChEBI NameN'-Hydroxyneosaxitoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O6
Net Charge0
Average Mass331.289
Monoisotopic Mass331.12403
SMILESNC1=NC2C(COC(=O)NO)[N+]([O-])=C(N)N3CCC(O)(O)C23N1
InChIInChI=1S/C10H17N7O6/c11-6-13-5-4(3-23-8(18)15-21)17(22)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,19-21H,1-3,12H2,(H,15,18)(H3,11,13,14)
InChIKeyPTHGRTJYAZWBTI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
N'-Hydroxyneosaxitoxin (CHEBI:178170) has role marine metabolite (CHEBI:76507)
N'-Hydroxyneosaxitoxin (CHEBI:178170) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl)methyl N-hydroxycarbamate