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CHEBI:218593 - 5a,6-anhydrobisdethiobis(methylthio)gliotoxin

ChEBI IDCHEBI:218593
ChEBI Name5a,6-anhydrobisdethiobis(methylthio)gliotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2O3S2
Net Charge0
Average Mass338.454
Monoisotopic Mass338.07588
SMILESCS[C@]1(CO)C(=O)N2c3ccccc3C[C@@]2(SC)C(=O)N1C
InChIInChI=1S/C15H18N2O3S2/c1-16-12(19)14(21-2)8-10-6-4-5-7-11(10)17(14)13(20)15(16,9-18)22-3/h4-7,18H,8-9H2,1-3H3/t14-,15-/m1/s1
InChIKeyVRMGNHSNVZMDQN-HUUCEWRRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (26258781)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5a,6-anhydrobisdethiobis(methylthio)gliotoxin (CHEBI:218593) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(3R,10aR)-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulanyl)-10H-pyrazino[1,2-a]indole-1,4-dione
Manual XrefsDatabases
40256522ChemSpider