HMDB0241191 RDKit 3D Undeca-2,4-dienoylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 6.5100 2.0124 -1.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3341 1.1017 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 -0.2604 -1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -1.3499 -1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -1.8314 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -0.9013 1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.3534 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 -0.5034 1.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 -1.2371 2.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -1.3718 2.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.8648 2.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5752 -1.1207 3.0644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7554 -0.1050 1.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0623 0.3581 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 1.8282 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 2.5019 1.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 1.9229 2.9825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3888 3.8853 1.8804 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3984 -0.4070 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6761 -0.1158 -0.9345 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.7420 0.0103 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0247 -1.3074 -1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 1.0046 -1.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1998 3.0625 -1.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3795 1.8474 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 1.7356 -2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 1.5546 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3831 1.2326 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6466 -0.5294 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -0.1754 -2.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6824 -1.1653 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0816 -2.2686 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -2.2809 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -2.7337 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -0.0842 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 -1.5104 2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3695 0.2498 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -0.0441 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 -1.7335 2.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -1.9755 3.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7438 0.0251 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 2.2766 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1953 2.0910 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 -1.4873 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -0.2415 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 -0.9914 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5261 0.6315 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5905 0.5275 -0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7281 -2.1699 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4997 -1.3121 -2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -1.3192 -1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0207 0.6972 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4455 1.7337 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6914 1.4611 -1.9718 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 1 0 7 8 2 3 8 9 1 0 9 10 2 3 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 M CHG 2 18 -1 20 1 M END