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CHEBI:203122 - Epicoccamide

Default Structure
ChEBI IDCHEBI:203122
ChEBI NameEpicoccamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H51NO9
Net Charge0
Average Mass557.725
Monoisotopic Mass557.35638
SMILESCC(CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=C1C(=O)C(C)N(C)C1=O
InChIInChI=1S/C29H51NO9/c1-19(23(32)22-24(33)20(2)30(3)28(22)37)16-14-12-10-8-6-4-5-7-9-11-13-15-17-38-29-27(36)26(35)25(34)21(18-31)39-29/h19-21,25-27,29,31-32,34-36H,4-18H2,1-3H3/t19?,20?,21-,25-,26+,27+,29-/m1/s1
InChIKeyGLMMQSHEMIVRFP-XIECNSLGSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (12926253)
ChEBI Ontology
Outgoing Relation(s)
Epicoccamide (CHEBI:203122) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3-[1-hydroxy-2-methyl-16-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecylidene]-1,5-dimethylpyrrolidine-2,4-dione
Manual XrefsDatabases
78442563ChemSpider