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CHEBI:222867 - Epicoccin R

ChEBI IDCHEBI:222867
ChEBI NameEpicoccin R
Stars
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@H](C[C@H](O)[C@H]3N1C4=O)S2
InChIInChI=1S/C18H18N2O6S3/c21-7-1-10-14(24)12-5(7)3-18(29-28-10)16(26)19-11-6-4-17(19,15(25)20(12)18)27-9(13(6)23)2-8(11)22/h5-6,8-12,14,22,24H,1-4H2/t5-,6+,8-,9-,10+,11-,12-,14-,17+,18+/m0/s1
InChIKeyBFALVCZSGSJFEA-HTJQZTFCSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (20550196)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin R (CHEBI:222867) has functional parent α-amino acid (CHEBI:33704)
Epicoccin R (CHEBI:222867) is a organonitrogen compound (CHEBI:35352)
Epicoccin R (CHEBI:222867) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,7S,9R,11R,14S,15R,16R,19R)-5,15-dihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.17,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone
Manual XrefsDatabases
25046214ChemSpider