CHEBI:202142 - Epicoccamide C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epicoccamide C
ChEBI ID CHEBI:202142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H53NO10
Net Charge 0
Average Mass 599.762
Monoisotopic Mass 599.36695
InChI InChI=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
InChIKey DUMMALDOKSBGNI-BEQXBITGSA-N
SMILES O=C1N(C(C)C(C1=C(O)C(CCCCCCCCCCCCCCO[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)COC(=O)C)C)=O)C
Metabolite of Species Details
Epicoccumspecies (NCBI:txid1859956) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78436823 ChemSpider
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