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CHEBI:223670 - Herbicidin F

ChEBI IDCHEBI:223670
ChEBI NameHerbicidin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29N5O10
Net Charge0
Average Mass535.510
Monoisotopic Mass535.19144
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](OC)[C@@H]3O[C@@]21O
InChIInChI=1S/C23H29N5O10/c1-5-9(2)21(30)37-17-13(29)15(22(31)34-4)36-11-6-10-14(38-23(11,17)32)16(33-3)20(35-10)28-8-27-12-18(24)25-7-26-19(12)28/h5,7-8,10-11,13-17,20,29,32H,6H2,1-4H3,(H2,24,25,26)/b9-5+/t10-,11-,13-,14-,15+,16+,17+,20-,23+/m1/s1
InChIKeyPXURTMJWRXVZEJ-BGOOMMSQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (511776)
ChEBI Ontology
Outgoing Relation(s)
Herbicidin F (CHEBI:223670) 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-[(E)-2-methylbut-2-enoyl]oxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
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78443118ChemSpider