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CHEBI:209062 - Herbicidin L

ChEBI IDCHEBI:209062
ChEBI NameHerbicidin L
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29N5O11
Net Charge0
Average Mass551.509
Monoisotopic Mass551.18636
SMILESC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C(=O)OC)O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OC)[C@H]3O[C@@]2(O)[C@@H]1O
InChIInChI=1S/C23H29N5O11/c1-4-9(6-29)21(31)38-14-16(22(32)35-3)37-11-5-10-13(39-23(11,33)17(14)30)15(34-2)20(36-10)28-8-27-12-18(24)25-7-26-19(12)28/h4,7-8,10-11,13-17,20,29-30,33H,5-6H2,1-3H3,(H2,24,25,26)/b9-4+/t10-,11-,13+,14-,15-,16+,17-,20-,23-/m1/s1
InChIKeyUVLIBEDEPMXKCR-ZDASJGCESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CB01388 (ncbitaxon:1381367) - PubMed (29469575)
ChEBI Ontology
Outgoing Relation(s)
Herbicidin L (CHEBI:209062) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
methyl (1S,3S,4R,5R,7R,9R,11S,12S,13R)-5-(6-aminopurin-9-yl)-1,13-dihydroxy-12-[(E)-2-(hydroxymethyl)but-2-enoyl]oxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
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78439051ChemSpider