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CHEBI:202652 - Epicoccin K

ChEBI IDCHEBI:202652
ChEBI NameEpicoccin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N2O6S2
Net Charge0
Average Mass458.602
Monoisotopic Mass458.15453
SMILESCS[C@@]12C[C@H]3[C@@H]([C@@H](O)CC[C@@H]3O)N1C(=O)[C@]1(SC)C[C@H]3[C@@H]([C@@H](O)CC[C@@H]3O)N1C2=O
InChIInChI=1S/C20H30N2O6S2/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/h9-16,23-26H,3-8H2,1-2H3/t9-,10-,11+,12+,13+,14+,15+,16+,19-,20-/m1/s1
InChIKeyBSANKYAGHPSQFY-OTLVIJGASA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (20550196)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin K (CHEBI:202652) has functional parent α-amino acid (CHEBI:33704)
Epicoccin K (CHEBI:202652) is a organonitrogen compound (CHEBI:35352)
Epicoccin K (CHEBI:202652) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,8S,9S,11R,14S,15S,18S,19S)-5,8,15,18-tetrahydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,12-dione
Manual XrefsDatabases
25033960ChemSpider