HMDB0013324 RDKit 3D 2-Octenoylcarnitine 47 46 0 0 0 0 0 0 0 0999 V2000 6.7188 -0.0778 1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2719 0.1443 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 0.4053 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 0.6433 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 -0.5189 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 -0.3772 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 0.6899 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 0.7976 -1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8731 1.8283 -1.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.2355 -1.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6317 -0.3008 -1.5057 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9299 -1.3061 -2.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 -2.6623 -2.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 -2.8632 -1.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 -3.6716 -3.1934 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5821 -0.5369 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 0.4242 0.6545 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.3464 0.3908 1.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7005 0.1140 1.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8374 1.7742 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1267 0.9001 2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 -0.4716 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -0.7844 2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6826 -0.7856 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8089 0.9607 2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5746 -0.4814 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7876 1.2784 -0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 1.0478 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 1.4959 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2972 -1.4540 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 -0.6788 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.2162 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 1.5021 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9115 0.6851 -1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 -1.2351 -2.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -0.9291 -3.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6155 -0.5140 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -1.5748 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 1.2778 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 -0.5197 1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 0.3800 2.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 1.0318 2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 -0.7291 2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5513 -0.2156 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 2.4318 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2092 2.1346 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 1.8019 -0.1657 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 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 11 34 1 6 12 35 1 0 12 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 M CHG 2 15 -1 17 1 M END