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CHEBI:227731 - Brocazine F

ChEBI IDCHEBI:227731
ChEBI NameBrocazine F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O6S2
Net Charge0
Average Mass422.484
Monoisotopic Mass422.06063
SMILESO=C1C=C[C@H](O)[C@@H]2[C@@H]1C[C@@]13SS[C@]4(C[C@H]5[C@@H]([C@@H](O)C=C[C@@H]5O)N4C1=O)C(=O)N23
InChIInChI=1S/C18H18N2O6S2/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/h1-4,7-9,11-14,21,23-24H,5-6H2/t7-,8-,9+,11+,12+,13+,14+,17-,18-/m1/s1
InChIKeyXSWISPGHSBMOGN-UEEIMCCISA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25105722)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brocazine F (CHEBI:227731) is a 2,5-diketopiperazines (CHEBI:65061)
Brocazine F (CHEBI:227731) is a indoles (CHEBI:24828)
Brocazine F (CHEBI:227731) is a organic disulfide (CHEBI:35489)
Brocazine F (CHEBI:227731) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4S,5S,9S,11R,14S,15S,18S,19S)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12-trione
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34981976ChemSpider