Mrv1652304282223042D 17 19 0 0 1 0 999 V2000 1.3819 -1.7224 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.5070 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.5070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0470 -1.7224 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 3 12 1 1 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 M END > NP0075860 > NP-MRD > S1S[C@H](S[C@H]1C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C14H12S3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+ > PUWFIFCCGDGBGM-OKILXGFUSA-N > C14H12S3 > 276.43 > 276.010113908 > 0 > 29 > 29.206766447724192 > 1 > 0 > 0 > 1 > (3R,5S)-3,5-diphenyl-1,2,4-trithiolane > 4.54 > 5.452113006333334 > -4.91 > 0 > 3 > 0 > 0.0 > 81.17210000000003 > 2 > 0 > 3.40e-03 g/l > (3R,5S)-3,5-diphenyl-1,2,4-trithiolane > 1 > NP0075860 > Trithiolaniacin $$$$