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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12N2O4S2
Molecular Weight 324.375
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROGLIOTOXIN

SMILES

CN1C(=O)[C@]23CC4=C(N2C(=O)[C@@]1(CO)SS3)C(O)=CC=C4

InChI

InChIKey=BNNLUYCZQNYABS-CHWSQXEVSA-N
InChI=1S/C13H12N2O4S2/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/h2-4,16-17H,5-6H2,1H3/t12-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H12N2O4S2
Molecular Weight 324.375
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
EDL6219B5A
Record Status Validated (UNII)
Record Version