HMDB0253155 RDKit 3D Hexenoylcarnitine 41 40 0 0 0 0 0 0 0 0999 V2000 3.7774 0.3924 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3886 0.1798 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 0.8999 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 0.4818 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6405 -0.5052 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 -1.0069 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0546 -2.0319 -0.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -0.4428 1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4092 0.7213 1.8217 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 -1.4827 2.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2304 -2.7723 1.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4114 -3.1234 1.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 -3.7579 1.4711 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0860 -0.4600 0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3478 0.5532 -0.4045 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.8306 1.8037 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 0.0255 -1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 0.7835 -1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 -0.5574 -2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 0.9098 -1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 1.0577 -2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4475 -0.9125 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 0.5596 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 1.9841 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 0.8712 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 1.0443 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 -1.0400 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 1.5208 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -1.1244 3.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -1.6083 2.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8666 -0.4275 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 -1.4373 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 1.6689 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8271 2.0830 -0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 2.6746 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 0.9126 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 -0.3817 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1225 -0.7031 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 -0.1179 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 1.1917 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7368 1.5738 -2.0698 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 2 3 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 8 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 14 31 1 0 14 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 M CHG 2 13 -1 15 1 M END