dithiolgliotoxin

Properties Image MNX_ID MNXM148226 reference metacycM:CPD-17453 formula C13H16N2O4S2 global charge 0 mol weight 328.415 InChIKey XKTXYYQCJXOOPZ-RBJBARPLSA-N InChI InChI=1S/C13H16N2O4S2/c1-14-10(18)12(20)5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,21)6-16/h2-4,8-9,16-17,20-21H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1 SMILES CN1C(=O)[C@]2(S)CC3=CC=C[C@H](O)[C@H]3N2C(=O)[C@]1(S)CO MNX internals InChI (mnx) InChI=1/C13H16N2O4S2/c1-14-10(18)12(20)5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,21)6-16/h2-4,8-9,16-17,20-21H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1 SMILES (mnx) [CH3:1][N:14]1[C:10](=[O:18])[C@:12]2([SH:20])[CH2:5][C:7]3=[CH:3][CH:2]=[CH:4][C@H:8]([OH:17])[C@H:9]3[N:15]2[C:11](=[O:19])[C@@:13]1([CH2:6][OH:16])[SH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0