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CHEBI:223901 - Herbicidin B

ChEBI IDCHEBI:223901
ChEBI NameHerbicidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O9
Net Charge0
Average Mass453.408
Monoisotopic Mass453.14958
SMILESCOC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OC)[C@@H]3O[C@]2(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H23N5O9/c1-28-12-10-6(30-16(12)23-5-22-8-14(19)20-4-21-15(8)23)3-7-18(27,32-10)13(25)9(24)11(31-7)17(26)29-2/h4-7,9-13,16,24-25,27H,3H2,1-2H3,(H2,19,20,21)/t6-,7-,9-,10-,11+,12+,13+,16-,18+/m1/s1
InChIKeyGZBSICLBZYSADI-OQRBOVMGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (993128)
ChEBI Ontology
Outgoing Relation(s)
Herbicidin B (CHEBI:223901) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
methyl (1R,3R,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
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78443145ChemSpider