HMDB0241730 RDKit 3D Octa-2,6-dienedioylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 -1.7214 0.6936 -2.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5881 0.0498 -1.4852 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7487 -0.4916 -2.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -1.1608 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 0.7871 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0193 1.7254 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 2.6225 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 1.9271 2.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 2.6094 3.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 0.5600 2.6894 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8291 1.1150 0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 1.3651 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.1978 -0.6595 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6283 0.6793 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 -0.1951 1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -0.9500 2.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 -0.7108 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -1.2209 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8969 -2.1533 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0099 -2.6995 -1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8797 -3.5667 -1.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -2.2680 -2.3219 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 1.7942 -2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 0.3894 -2.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 0.3198 -3.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -1.4455 -2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6251 -0.6064 -1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9536 0.2358 -3.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 -1.4888 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 -1.9578 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -0.9199 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4172 0.1087 0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 1.4472 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6688 2.3973 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9437 3.4356 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 3.1622 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 0.9567 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 -0.3952 2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 -2.0551 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 -0.7462 3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 0.4033 1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7466 -1.1655 2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -0.9269 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5631 -2.4974 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -1.3610 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 3 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 22 45 1 0 M CHG 2 2 1 10 -1 M END