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CHEBI:199189 - Herbicidin H

ChEBI IDCHEBI:199189
ChEBI NameHerbicidin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27N5O11
Net Charge0
Average Mass537.482
Monoisotopic Mass537.17071
SMILESC/C=C(\CO)C(=O)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OC)[C@H]3O[C@]21O
InChIInChI=1S/C22H27N5O11/c1-3-8(5-28)21(32)37-16-12(29)14(20(30)31)36-10-4-9-13(38-22(10,16)33)15(34-2)19(35-9)27-7-26-11-17(23)24-6-25-18(11)27/h3,6-7,9-10,12-16,19,28-29,33H,4-5H2,1-2H3,(H,30,31)(H2,23,24,25)/b8-3+/t9-,10-,12-,13+,14+,15-,16+,19-,22-/m1/s1
InChIKeyUYMJQKGQRMSHEJ-LRPIPPEASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.12_89)
ChEBI Ontology
Outgoing Relation(s)
Herbicidin H (CHEBI:199189) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(1R,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-[(E)-2-(hydroxymethyl)but-2-enoyl]oxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylic acid
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