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CHEBI:209395 - Brocazine B

ChEBI IDCHEBI:209395
ChEBI NameBrocazine B
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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]5C(=O)CC[C@H](O)[C@H]5N4C1=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/h1,3,7-8,11-14,23-24H,2,4-6H2/t7-,8+,11+,12+,13+,14+,17-,18-/m1/s1
InChIKeyNOMAQNRAYYWNOP-IMHILIGISA-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 B (CHEBI:209395) is a 2,5-diketopiperazines (CHEBI:65061)
Brocazine B (CHEBI:209395) is a indoles (CHEBI:24828)
Brocazine B (CHEBI:209395) is a organic disulfide (CHEBI:35489)
Brocazine B (CHEBI:209395) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4S,5S,9S,11R,14S,15S,19R)-5,15-dihydroxy-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
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34981975ChemSpider