HMDB0038947 RDKit 3D (S)-3-Methylthiohexyl hexanoate 42 41 0 0 0 0 0 0 0 0999 V2000 6.5336 -0.1038 1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6326 0.9515 0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3432 0.2727 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 1.2841 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 0.8112 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 0.1989 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 0.1392 1.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 -0.3189 -0.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -0.9060 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -1.3366 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -0.2789 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 -0.9668 -1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -1.7080 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 -0.8746 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4645 0.9411 0.3201 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 1.9574 1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1217 0.3748 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1297 -0.5979 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8288 -0.8551 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3288 1.6677 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1837 1.4166 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 -0.5354 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8954 -0.1855 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 2.1444 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 1.7241 -1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 1.7182 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 0.1394 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 -0.3111 1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -1.8521 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -1.8556 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -2.1140 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 0.2498 -1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 -1.6422 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 -0.1932 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4641 -2.6247 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8068 -2.0954 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -0.7951 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8464 0.1254 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5948 -1.3058 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 1.7175 2.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 1.9010 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5079 3.0301 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 11 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END