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CHEBI:220329 - Epicoccin U

ChEBI IDCHEBI:220329
ChEBI NameEpicoccin U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O8S2
Net Charge0
Average Mass470.525
Monoisotopic Mass470.08176
SMILESCO[C@@H]1[C@@H]2[C@@H](C[C@@]34SS[C@]5(C[C@H]6C(=O)C[C@H](O)[C@H](O)[C@H]6N5C3=O)C(=O)N24)C(=O)C[C@@H]1O
InChIInChI=1S/C19H22N2O8S2/c1-29-15-11(25)3-9(23)7-5-19-16(27)20-12-6(8(22)2-10(24)14(12)26)4-18(20,30-31-19)17(28)21(19)13(7)15/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11-,12-,13-,14-,15-,18+,19+/m0/s1
InChIKeyWHCJAHUVMGPUOK-NCRURJJJSA-N
Species of MetaboliteComponentSourceComments
Schizophyllum (ncbitaxon:5333) - PubMed (28076985)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Epicoccin U (CHEBI:220329) is a 2,5-diketopiperazines (CHEBI:65061)
Epicoccin U (CHEBI:220329) is a indoles (CHEBI:24828)
Epicoccin U (CHEBI:220329) is a organic disulfide (CHEBI:35489)
Epicoccin U (CHEBI:220329) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,16-trihydroxy-15-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone