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CHEBI:209368 - 6-deoxy-5a,6-didehydrogliotoxin

ChEBI IDCHEBI:209368
ChEBI Name6-deoxy-5a,6-didehydrogliotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12N2O3S2
Net Charge0
Average Mass308.384
Monoisotopic Mass308.02893
SMILESCN1C(=O)[C@]23Cc4ccccc4N2C(=O)[C@@]1(CO)SS3
InChIInChI=1S/C13H12N2O3S2/c1-14-10(17)12-6-8-4-2-3-5-9(8)15(12)11(18)13(14,7-16)20-19-12/h2-5,16H,6-7H2,1H3/t12-,13-/m1/s1
InChIKeyNFEZWAFSLIIAQI-CHWSQXEVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (22148349)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-deoxy-5a,6-didehydrogliotoxin (CHEBI:209368) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(1R,11R)-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5,7-triene-10,14-dione
Manual XrefsDatabases
8058747ChemSpider