HMDB0241691 RDKit 3D Hepta-2,5-dienoylcarnitine 42 41 0 0 0 0 0 0 0 0999 V2000 5.6635 1.4572 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6646 0.6270 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 -0.1447 0.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 -0.9904 1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6868 -0.9077 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 -1.9634 0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6329 -1.8565 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 -2.8384 -0.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -0.6334 0.1929 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 -0.4116 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2587 0.5294 -1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4345 -0.1426 -2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 -0.2190 -2.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 -0.6980 -3.5852 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0622 0.1137 0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 0.4063 0.7606 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0612 0.4385 2.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -0.6005 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 1.7296 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 1.6920 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 2.4250 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 0.9368 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 0.6918 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 -0.1636 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 -2.0563 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1253 -0.7224 2.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 0.0709 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5412 -2.9128 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7126 -1.3855 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 0.7672 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6717 1.4530 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 1.0406 1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -0.6284 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8015 -0.5246 2.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 0.4683 1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7013 1.2714 2.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1756 -0.7941 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 -0.2502 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.5885 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 1.6960 -0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 2.2284 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 2.3894 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 15 32 1 0 15 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 M CHG 2 14 -1 16 1 M END