HMDB0094658 RDKit 3D 1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol 31 31 0 0 0 0 0 0 0 0999 V2000 4.5114 1.7091 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 1.0037 -1.0606 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 0.6647 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 -0.5298 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 -1.6059 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -0.7244 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 -1.1154 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0937 -2.3104 -0.7379 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 -1.2885 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 -0.2356 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6723 1.1319 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 1.2707 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 -0.0320 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3955 1.9720 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 2.6346 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 0.9572 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 1.4926 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 -1.5979 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4702 -1.4875 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -2.6001 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -1.5490 1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2365 0.1837 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9856 -2.1771 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6039 -2.2674 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 -0.3521 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6423 1.7066 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 1.6280 1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 1.8896 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 1.8024 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5339 -0.3488 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 0.1754 -1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 M END