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CHEBI:223854 - Epicoccin M

ChEBI IDCHEBI:223854
ChEBI NameEpicoccin M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O6S3
Net Charge0
Average Mass470.594
Monoisotopic Mass470.06400
SMILESCS[C@@]12C[C@H]3C(=O)CC[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/C19H22N2O6S3/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-11(24)4-12(29-30-19)15(25)14(8)21(19)16(18)26/h7-8,10,12-15,23,25H,2-6H2,1H3/t7-,8-,10-,12+,13-,14-,15-,18+,19+/m0/s1
InChIKeyIZVLOMZFKBEMKA-FVCPCXLRSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (20550196)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin M (CHEBI:223854) has functional parent α-amino acid (CHEBI:33704)
Epicoccin M (CHEBI:223854) is a organonitrogen compound (CHEBI:35352)
Epicoccin M (CHEBI:223854) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,9R,11R,14S,15R,16R,19R)-5,15-dihydroxy-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
25039549ChemSpider