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CHEBI:219463 - 9'-deoxy-8'-oxoherbicidin B

ChEBI IDCHEBI:219463
ChEBI Name9'-deoxy-8'-oxoherbicidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21N5O8
Net Charge0
Average Mass435.393
Monoisotopic Mass435.13901
SMILESCOC(=O)[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](OC)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3C[C@H]2O1
InChIInChI=1S/C18H21N5O8/c1-27-13-12-7(30-16(13)23-6-22-11-14(19)20-5-21-15(11)23)4-10-18(26,31-12)9(24)3-8(29-10)17(25)28-2/h5-8,10,12-13,16,26H,3-4H2,1-2H3,(H2,19,20,21)/t7-,8+,10-,12+,13-,16-,18+/m1/s1
InChIKeyDVKNAPSPUAABNS-SOUYVPNJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies L-9-10 (ncbitaxon:1478131) - PubMed (24533857)
ChEBI Ontology
Outgoing Relation(s)
9'-deoxy-8'-oxoherbicidin B (CHEBI:219463) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
methyl (1R,3S,4R,5R,7R,9R,11S)-5-(6-aminopurin-9-yl)-1-hydroxy-4-methoxy-13-oxo-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
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