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CHEBI:223675 - Herbicidin E

ChEBI IDCHEBI:223675
ChEBI NameHerbicidin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29N5O10
Net Charge0
Average Mass523.499
Monoisotopic Mass523.19144
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](OC(=O)C(C)C)[C@@H]1O
InChIInChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1
InChIKeyDIGRAKJXHSMXBZ-HUPRSAECSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (117003)
ChEBI Ontology
Outgoing Relation(s)
Herbicidin E (CHEBI:223675) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
methyl (1S,3R,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-4-methoxy-13-(2-methylpropanoyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
Manual XrefsDatabases
78443119ChemSpider