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CHEBI:203231 - Epicoccin E

ChEBI IDCHEBI:203231
ChEBI NameEpicoccin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O7S2
Net Charge0
Average Mass438.483
Monoisotopic Mass438.05554
SMILESO=C1C[C@@H]2S[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@@H]3C(=O)[C@H](S1)[C@@H](O)[C@@H](O)[C@@H]3N2C4=O
InChIInChI=1S/C18H18N2O7S2/c21-6-1-7-11(23)8-4(6)2-17(28-7)15(26)20-9-5-3-18(20,16(27)19(8)17)29-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m1/s1
InChIKeyKVJHKMONYMMFLY-DRHIPVLPSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (19919067)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin E (CHEBI:203231) has functional parent α-amino acid (CHEBI:33704)
Epicoccin E (CHEBI:203231) is a organonitrogen compound (CHEBI:35352)
Epicoccin E (CHEBI:203231) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4R,5S,6S,7R,9S,11S,14R,15S,16S,19S)-5,6,15-trihydroxy-21,22-dithia-3,13-diazaheptacyclo[14.4.1.17,11.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone
Manual XrefsDatabases
78436981ChemSpider