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CHEBI:208468 - 9'-deoxy-8',8'-dihydroxyherbicidin B

ChEBI IDCHEBI:208468
ChEBI Name9'-deoxy-8',8'-dihydroxyherbicidin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O9
Net Charge0
Average Mass453.408
Monoisotopic Mass453.14958
SMILESCOC(=O)[C@@H]1CC(O)(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/C18H23N5O9/c1-28-12-11-7(31-15(12)23-6-22-10-13(19)20-5-21-14(10)23)3-9-18(27,32-11)17(25,26)4-8(30-9)16(24)29-2/h5-9,11-12,15,25-27H,3-4H2,1-2H3,(H2,19,20,21)/t7-,8+,9-,11+,12-,15-,18-/m1/s1
InChIKeyAZYCCECPGKXFKD-WZBVYVGFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies L-9-10 (ncbitaxon:1478131) - PubMed (24533857)
ChEBI Ontology
Outgoing Relation(s)
9'-deoxy-8',8'-dihydroxyherbicidin B (CHEBI:208468) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
methyl (1R,3S,4R,5R,7R,9R,11S)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
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