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CHEBI:208393 - Epicoccamide B

ChEBI IDCHEBI:208393
ChEBI NameEpicoccamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H53NO10
Net Charge0
Average Mass599.762
Monoisotopic Mass599.36695
SMILESCC(=O)O[C@@H]1[C@H](O)[C@H](OCCCCCCCCCCCCCCC(C)C(O)=C2C(=O)C(C)N(C)C2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C31H53NO10/c1-20(25(35)24-26(36)21(2)32(4)30(24)39)17-15-13-11-9-7-5-6-8-10-12-14-16-18-40-31-28(38)29(41-22(3)34)27(37)23(19-33)42-31/h20-21,23,27-29,31,33,35,37-38H,5-19H2,1-4H3/t20?,21?,23-,27-,28+,29+,31-/m1/s1
InChIKeyWGIDOZHCUPNGEH-BEQXBITGSA-N
Species of MetaboliteComponentSourceComments
Epicoccumspecies (ncbitaxon:1859956) - PubMed (17966985)
ChEBI Ontology
Outgoing Relation(s)
Epicoccamide B (CHEBI:208393) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[(2R,3S,4S,5R,6R)-2-[16-(1,5-dimethyl-2,4-dioxopyrrolidin-3-ylidene)-16-hydroxy-15-methylhexadecoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
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