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CHEBI:202029 - 2'-O-demethylherbicidin F

ChEBI IDCHEBI:202029
ChEBI Name2'-O-demethylherbicidin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27N5O10
Net Charge0
Average Mass521.483
Monoisotopic Mass521.17579
SMILESC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](C(=O)OC)O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O[C@]21O
InChIInChI=1S/C22H27N5O10/c1-4-8(2)20(30)36-16-12(28)15(21(31)33-3)35-10-5-9-14(37-22(10,16)32)13(29)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h4,6-7,9-10,12-16,19,28-29,32H,5H2,1-3H3,(H2,23,24,25)/b8-4+/t9-,10-,12-,13-,14+,15+,16+,19-,22-/m1/s1
InChIKeyLUHFPLRYWUPHKS-ORBSYVJISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies L-9-10 (ncbitaxon:1478131) - PubMed (24533857)
ChEBI Ontology
Outgoing Relation(s)
2'-O-demethylherbicidin F (CHEBI:202029) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
methyl (1R,3R,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12-trihydroxy-13-[(E)-2-methylbut-2-enoyl]oxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
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