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CHEBI:209250 - Epicoccin B

ChEBI IDCHEBI:209250
ChEBI NameEpicoccin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O7S3
Net Charge0
Average Mass470.550
Monoisotopic Mass470.02761
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](S1)[C@H](O)[C@H](O)[C@H]3N2C4=O
InChIInChI=1S/C18H18N2O7S3/c21-6-1-7-11(23)8-4(6)2-18(30-29-7)16(27)19-9-5-3-17(19,15(26)20(8)18)28-14(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+/m0/s1
InChIKeySPLIJUQASWTCRI-KZOHNSNHSA-N
Species of MetaboliteComponentSourceComments
Epicoccum nigrum (ncbitaxon:105696) - PubMed (17711348)
ChEBI Ontology
Outgoing Relation(s)
Epicoccin B (CHEBI:209250) has functional parent α-amino acid (CHEBI:33704)
Epicoccin B (CHEBI:209250) is a organonitrogen compound (CHEBI:35352)
Epicoccin B (CHEBI:209250) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6R,7S,9R,11R,14S,15R,16R,19R)-5,6,15-trihydroxy-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
25060362ChemSpider