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CHEBI:227359 - Epicoccin S

ChEBI IDCHEBI:227359
ChEBI NameEpicoccin S
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SubmitterMetaboLights
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FormulaC20H22N2O7S3
Net Charge0
Average Mass498.604
Monoisotopic Mass498.05891
SMILESCCO[C@@H]1[C@H](O)[C@@H]2[C@H]3C[C@@]4(S[C@@H]1C3=O)C(=O)N1[C@@H]3[C@@H](O)[C@H]5CC(=O)[C@@H]3C[C@@]1(SS5)C(=O)N24
InChIInChI=1S/C20H22N2O7S3/c1-2-29-15-14(26)11-7-5-19(30-16(15)12(7)24)17(27)22-10-6-4-20(22,18(28)21(11)19)32-31-9(13(10)25)3-8(6)23/h6-7,9-11,13-16,25-26H,2-5H2,1H3/t6-,7+,9+,10-,11-,13-,14+,15+,16+,19+,20+/m0/s1
InChIKeyCTXSGNLLULNYBQ-IPDYFERDSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (20550196)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin S (CHEBI:227359) has functional parent α-amino acid (CHEBI:33704)
Epicoccin S (CHEBI:227359) is a organonitrogen compound (CHEBI:35352)
Epicoccin S (CHEBI:227359) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6R,7S,9R,11R,14S,15R,16R,19R)-6-ethoxy-5,15-dihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.17,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone
Manual XrefsDatabases
25035583ChemSpider