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CHEBI:206356 - Epicoccin F

ChEBI IDCHEBI:206356
ChEBI NameEpicoccin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20N2O6S3
Net Charge0
Average Mass456.567
Monoisotopic Mass456.04835
SMILESO=C1C[C@@H]2SS[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@H]3[C@H]([C@H](O)[C@H](C[C@@H]3O)S1)N2C4=O
InChIInChI=1S/C18H20N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-7,9-14,21,23-24H,1-4H2/t5-,6-,7+,9+,10+,11-,12-,13-,14-,17+,18+/m1/s1
InChIKeyHDEHHRCCINCEED-MJXKWBMFSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (19919067)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin F (CHEBI:206356) has functional parent α-amino acid (CHEBI:33704)
Epicoccin F (CHEBI:206356) is a organonitrogen compound (CHEBI:35352)
Epicoccin F (CHEBI:206356) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4R,5S,6S,8S,9S,11S,14R,15S,16S,19S)-5,8,15-trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,12,18-trione
Manual XrefsDatabases
78437866ChemSpider