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CHEBI:214714 - 12beta-deoxygonyautoxin 3

ChEBI IDCHEBI:214714
ChEBI Name12beta-deoxygonyautoxin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18N7O7S
Net Charge+1
Average Mass380.363
Monoisotopic Mass380.09829
SMILESNC(=O)OC[C@@H]1NC(N)=[N+]2C[C@H](OS(=O)(=O)O)[C@@H](O)[C@@]23NC(N)=N[C@H]13
InChIInChI=1S/C10H17N7O7S/c11-7-15-5-3(2-23-9(13)19)14-8(12)17-1-4(24-25(20,21)22)6(18)10(5,17)16-7/h3-6,18H,1-2H2,(H8,11,12,13,14,15,16,19,20,21,22)/p+1/t3-,4-,5+,6+,10-/m0/s1
InChIKeyCMLIMTOXQQYXEA-WMTVMBERSA-O
Species of MetaboliteComponentSourceComments
Anabaena (ncbitaxon:1163) - PubMed (31527551)
ChEBI Ontology
Outgoing Relation(s)
12beta-deoxygonyautoxin 3 (CHEBI:214714) is a imidazopyrimidine (CHEBI:35875)
IUPAC Name 
[(3aR,4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-3a,4,5,8,9,10-hexahydro-1H-pyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate