gliotoxin
Chemical Formula:
C13H14N2O4S2
Molecular Weight:
326.385 Daltons
Monoisotopic Mass:
326.0394983282 Daltons
SMILES:
CN1(C(=O)C34(SSC(CO)1C(=O)N([CH]2(C(=CC=CC(O)2)C3))4))
InChI:
1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17052
RefMet:
Gliotoxin
ChEBI:
5385
KEGG:
C10595
ChemSpider:
5988
Seed:
cpd07481
MetaNetX:
MNXM55075