petivericin

Properties Image MNX_ID MNXM20397 reference metacycM:CPD-12487 formula C14H14OS2 global charge 0 mol weight 262.399 InChIKey VUJONJHZKSZFSA-UHFFFAOYSA-N InChI InChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2 SMILES O=S(CC1=CC=CC=C1)SCC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2/t17? SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:13]([CH2:11][S:16][S:17]([CH2:12][C:14]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)=[O:15])[CH:8]=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0