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CHEBI:191705 - Gonyautoxin I

ChEBI IDCHEBI:191705
ChEBI NameGonyautoxin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O9S
Net Charge0
Average Mass411.353
Monoisotopic Mass411.08085
SMILESN=C1N(O)C(COC(N)=O)C2N=C(N)NC23N1CC(OS(=O)(=O)O)C3(O)O
InChIInChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)
InChIKeyCETRDCWBMBILAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
Gonyautoxin I (CHEBI:191705) has role marine metabolite (CHEBI:76507)
Gonyautoxin I (CHEBI:191705) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(2-amino-5,10,10-trihydroxy-6-imino-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate
Manual XrefsDatabases
35013616ChemSpider
HMDB0033508HMDB