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CHEBI:219143 - Epicoccin A

ChEBI IDCHEBI:219143
ChEBI NameEpicoccin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O6S3
Net Charge0
Average Mass454.551
Monoisotopic Mass454.03270
SMILESO=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](S1)[C@H](O)[C@H]3N2C4=O
InChIInChI=1S/C18H18N2O6S3/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/h5-6,9-14,23-24H,1-4H2/t5-,6-,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1
InChIKeyVZUJNQMBOQHGKN-DXOBHMFTSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (17711348)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin A (CHEBI:219143) has functional parent α-amino acid (CHEBI:33704)
Epicoccin A (CHEBI:219143) is a organonitrogen compound (CHEBI:35352)
Epicoccin A (CHEBI:219143) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6R,9R,11R,14S,15R,16R,19R)-5,15-dihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone
Manual XrefsDatabases
23310934ChemSpider