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CHEBI:223710 - Epicorazine A

ChEBI IDCHEBI:223710
ChEBI NameEpicorazine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16N2O6S2
Net Charge0
Average Mass420.468
Monoisotopic Mass420.04498
SMILESO=C1C=C[C@@H](O)[C@@H]2[C@H]1C[C@]13SS[C@@]4(C[C@H]5C(=O)C=C[C@H](O)[C@H]5N4C1=O)C(=O)N23
InChIInChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8-,11-,12+,13-,14-,17-,18-/m0/s1
InChIKeyRCODXLGTKJXDNC-ZSWOQMQUSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (721706)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Epicorazine A (CHEBI:223710) is a 2,5-diketopiperazines (CHEBI:65061)
Epicorazine A (CHEBI:223710) is a indoles (CHEBI:24828)
Epicorazine A (CHEBI:223710) is a organic disulfide (CHEBI:35489)
Epicorazine A (CHEBI:223710) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1S,4S,5S,9R,11S,14S,15R,19R)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone