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CHEBI:222678 - Saccharopyrone

ChEBI IDCHEBI:222678
ChEBI NameSaccharopyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O9
Net Charge0
Average Mass428.478
Monoisotopic Mass428.20463
SMILESCC(=O)OCC(C)CCCCc1cc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(C)c(=O)o1
InChIInChI=1S/C21H32O9/c1-11(10-27-14(4)22)7-5-6-8-15-9-16(12(2)20(26)29-15)30-21-19(25)18(24)17(23)13(3)28-21/h9,11,13,17-19,21,23-25H,5-8,10H2,1-4H3/t11?,13-,17-,18+,19+,21-/m0/s1
InChIKeyBUZRENAZMZDBDP-IBLKYAGFSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (31451754)
ChEBI Ontology
Outgoing Relation(s)
Saccharopyrone (CHEBI:222678) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-methyl-6-[5-methyl-6-oxo-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyran-2-yl]hexyl] acetate
Manual XrefsDatabases
81363721ChemSpider