EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217499 - 23-O-acetyl-N-hydroxyapiosporamide

ChEBI IDCHEBI:217499
ChEBI Name23-O-acetyl-N-hydroxyapiosporamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33NO8
Net Charge0
Average Mass487.549
Monoisotopic Mass487.22062
SMILESCC(=O)O[C@@H]1CC[C@](O)(c2cn(O)c(=O)c(C(=O)[C@H]3[C@@H]4CC[C@@H](C)C[C@H]4C=C[C@H]3C)c2O)[C@@H]2O[C@@H]21
InChIInChI=1S/C26H33NO8/c1-12-4-7-16-15(10-12)6-5-13(2)19(16)22(30)20-21(29)17(11-27(33)25(20)31)26(32)9-8-18(34-14(3)28)23-24(26)35-23/h5-6,11-13,15-16,18-19,23-24,29,32-33H,4,7-10H2,1-3H3/t12-,13-,15-,16-,18-,19-,23-,24-,26+/m1/s1
InChIKeyXJGASSGRQMFKDJ-RYRIJOLQSA-N
Species of MetaboliteComponentSourceComments
Apiospora montagnei (ncbitaxon:255776) - DOI (10.1016/j.tetlet.2017.03.052)
ChEBI Ontology
Outgoing Relation(s)
23-O-acetyl-N-hydroxyapiosporamide (CHEBI:217499) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
[(1R,2R,5S,6R)-5-[5-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-1,4-dihydroxy-6-oxopyridin-3-yl]-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl] acetate
Manual XrefsDatabases
78439382ChemSpider