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CHEBI:202142 - Epicoccamide C

ChEBI IDCHEBI:202142
ChEBI NameEpicoccamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H53NO10
Net Charge0
Average Mass599.762
Monoisotopic Mass599.36695
SMILESCC(=O)OC[C@H]1O[C@@H](OCCCCCCCCCCCCCCC(C)C(O)=C2C(=O)C(C)N(C)C2=O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C31H53NO10/c1-20(25(34)24-26(35)21(2)32(4)30(24)39)17-15-13-11-9-7-5-6-8-10-12-14-16-18-40-31-29(38)28(37)27(36)23(42-31)19-41-22(3)33/h20-21,23,27-29,31,34,36-38H,5-19H2,1-4H3/t20?,21?,23-,27-,28+,29+,31-/m1/s1
InChIKeyDUMMALDOKSBGNI-BEQXBITGSA-N
Species of MetaboliteComponentSourceComments
Epicoccumspecies (ncbitaxon:1859956) - PubMed (17966985)
ChEBI Ontology
Outgoing Relation(s)
Epicoccamide C (CHEBI:202142) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[(2R,3S,4S,5S,6R)-6-[16-(1,5-dimethyl-2,4-dioxopyrrolidin-3-ylidene)-16-hydroxy-15-methylhexadecoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
78436823ChemSpider