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CHEBI:198575 - Epicorazine C

ChEBI IDCHEBI:198575
ChEBI NameEpicorazine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O7S2
Net Charge0
Average Mass438.483
Monoisotopic Mass438.05554
SMILESO=C1C=C[C@H](O)[C@@H]2[C@@H]1CC13SSC4(C[C@H]5C(=O)C[C@H](O)[C@H](O)[C@H]5N4C1=O)C(=O)N23
InChIInChI=1S/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2/t6-,7+,9+,11+,12+,13+,14+,17?,18?/m1/s1
InChIKeyNCDIBOQDVNONGL-AONPJNASSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (11513044)
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 C (CHEBI:198575) is a 2,5-diketopiperazines (CHEBI:65061)
Epicorazine C (CHEBI:198575) is a indoles (CHEBI:24828)
Epicorazine C (CHEBI:198575) is a organic disulfide (CHEBI:35489)
Epicorazine C (CHEBI:198575) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(4S,5S,9S,14S,15R,16S,19R)-5,15,16-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ene-2,8,12,18-tetrone
Manual XrefsDatabases
78442458ChemSpider