input word = C00002340

Metabolite InformationStructural formula
Name Gliotoxin
Formula C13H14N2O4S2
Mw 326.03949841
CAS RN 67-99-2
C_ID C00002340 ,
InChIKey FIVPIPIDMRVLAY-RQUXISBGNA-N
InChICode 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
SMILES C1=C[C@@H]([C@@H]2C(=C1)C[C@]13N2C(=O)[C@](N(C1=O)C)(SS3)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium fimbriatum Ref.
FungiTrichocomaceaeAspergillus fumigatus Ref.
FungiTrichocomaceaePenicillium spp. Ref.
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OrganismAspergillus fumigatus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter31