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CHEBI:199813 - Epicoccin J

ChEBI IDCHEBI:199813
ChEBI NameEpicoccin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O6S2
Net Charge0
Average Mass452.554
Monoisotopic Mass452.10758
SMILESCS[C@@]12C[C@H]3C(=O)C=C[C@H](O)[C@H]3N1C(=O)[C@]1(SC)C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyQOXQVMHGUNMPOZ-RIJSRGPQSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (20550196)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin J (CHEBI:199813) has functional parent α-amino acid (CHEBI:33704)
Epicoccin J (CHEBI:199813) is a organonitrogen compound (CHEBI:35352)
Epicoccin J (CHEBI:199813) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,9R,11R,14S,15S,19R)-5,15-dihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icos-6-ene-2,8,12,18-tetrone
Manual XrefsDatabases
25032902ChemSpider