HMDB0241192 RDKit 3D Undeca-2,7-dienoylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 7.2284 -1.0055 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 -0.0587 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8028 0.3438 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0477 -0.8637 1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 -1.2681 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 -0.6211 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 -0.2318 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 0.4412 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -0.4301 -1.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.8473 -2.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 -0.5549 -2.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0295 -1.0523 -3.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 0.2347 -1.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 0.4850 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 1.9317 -1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 2.5343 -1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8861 3.1854 -0.4916 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 2.3798 -2.5576 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3322 -0.0055 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -0.0090 0.6789 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7836 0.9672 1.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7438 -0.0277 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7267 -1.3021 1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2187 -1.4338 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 -0.4616 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9373 -1.8413 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8449 0.8323 1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 -0.6372 2.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8142 0.9785 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4369 0.9269 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4259 -1.4431 2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 -2.2090 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 0.2138 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 -1.3810 -0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 -1.1394 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 0.5288 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9806 1.2982 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3357 0.8740 -0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 -0.7670 -2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -1.5026 -3.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5227 -0.0791 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 2.5694 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 2.1173 -2.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 -1.0629 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6454 0.5379 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8345 0.5172 2.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7021 1.5689 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 1.6019 1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5223 -0.1372 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3631 0.8804 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4661 -0.8756 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9895 -1.1890 2.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4533 -2.1411 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7164 -1.3697 1.8908 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 1 0 7 8 1 0 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 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 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