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CHEBI:223680 - Herbicidin C

ChEBI IDCHEBI:223680
ChEBI NameHerbicidin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21N5O9
Net Charge0
Average Mass439.381
Monoisotopic Mass439.13393
SMILESCOC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@@H]3O[C@]2(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H21N5O9/c1-28-16(26)11-8(23)12(25)17(27)6(30-11)2-5-10(31-17)9(24)15(29-5)22-4-21-7-13(18)19-3-20-14(7)22/h3-6,8-12,15,23-25,27H,2H2,1H3,(H2,18,19,20)/t5-,6-,8-,9+,10-,11+,12+,15-,17+/m1/s1
InChIKeyOEWSVQOLWMAJBV-ADWYMRBVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (117003)
ChEBI Ontology
Outgoing Relation(s)
Herbicidin C (CHEBI:223680) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
methyl (1R,3S,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
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