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CHEBI:203858 - Epicoccin I

ChEBI IDCHEBI:203858
ChEBI NameEpicoccin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O5S2
Net Charge0
Average Mass420.512
Monoisotopic Mass420.08136
SMILESCS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@]13C[C@@]4(O)[C@H](C=C[C@H](O)[C@H]4N1C2=O)S3
InChIInChI=1S/C19H20N2O5S2/c1-27-18-7-9-3-2-4-10(22)13(9)20(18)16(25)19-8-17(26)12(28-19)6-5-11(23)14(17)21(19)15(18)24/h2-6,10-14,22-23,26H,7-8H2,1H3/t10-,11-,12-,13-,14+,17+,18+,19+/m0/s1
InChIKeyLHZMNYMJNCNKGQ-CSBLCHCESA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (20550196)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin I (CHEBI:203858) has functional parent α-amino acid (CHEBI:33704)
Epicoccin I (CHEBI:203858) is a organonitrogen compound (CHEBI:35352)
Epicoccin I (CHEBI:203858) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,11R,14R,15S,18S,19S)-5,15,19-trihydroxy-11-methylsulanyl-21-thia-3,13-diazahexacyclo[16.2.1.01,13.03,11.04,9.014,19]henicosa-6,8,16-triene-2,12-dione
Manual XrefsDatabases
25047149ChemSpider