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CHEBI:203065 - Epicoccin N

ChEBI IDCHEBI:203065
ChEBI NameEpicoccin N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O7S3
Net Charge0
Average Mass486.593
Monoisotopic Mass486.05891
SMILESCS[C@@]12C[C@H]3C(=O)C[C@H](O)[C@H](O)[C@H]3N1C(=O)[C@@]13C[C@H]4C(=O)C[C@@H](SS1)[C@H](O)[C@H]4N3C2=O
InChIInChI=1S/C19H22N2O7S3/c1-29-18-4-6-8(22)2-10(24)14(25)12(6)20(18)17(28)19-5-7-9(23)3-11(30-31-19)15(26)13(7)21(19)16(18)27/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11+,12-,13-,14-,15-,18+,19+/m0/s1
InChIKeyPWTRPOVBBGDOBW-KKRNIYGSSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (20550196)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin N (CHEBI:203065) has functional parent α-amino acid (CHEBI:33704)
Epicoccin N (CHEBI:203065) is a organonitrogen compound (CHEBI:35352)
Epicoccin N (CHEBI:203065) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15R,16R,19R)-5,6,15-trihydroxy-11-methylsulanyl-21,22-dithia-3,13-diazahexacyclo[14.4.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone
Manual XrefsDatabases
25046833ChemSpider