EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208099 - Curdepsidone D

Default Structure
ChEBI IDCHEBI:208099
ChEBI NameCurdepsidone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O10
Net Charge0
Average Mass462.451
Monoisotopic Mass462.15260
SMILESCCO[C@H](C[C@@H](O)C(=O)OC)c1c(O)c(OC)c(C)c2c1Oc1c(C)cc(O)cc1OC2=O
InChIInChI=1S/C23H26O10/c1-6-31-14(9-13(25)22(27)30-5)17-18(26)20(29-4)11(3)16-21(17)33-19-10(2)7-12(24)8-15(19)32-23(16)28/h7-8,13-14,24-26H,6,9H2,1-5H3/t13-,14-/m1/s1
InChIKeyANDMQMLAINBTIK-ZIAGYGMSSA-N
Species of MetaboliteComponentSourceComments
Curvulariaspecies IFB-Z10 (ncbitaxon:1526222) - PubMed (31060304)
ChEBI Ontology
Outgoing Relation(s)
Curdepsidone D (CHEBI:208099) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl (2R,4R)-4-(3,9-dihydroxy-8-methoxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepin-10-yl)-4-ethoxy-2-hydroxybutanoate
Manual XrefsDatabases
74122695ChemSpider