HMDB0241692 RDKit 3D (3Z,5E)-Hepta-3,5-dienoylcarnitine 42 41 0 0 0 0 0 0 0 0999 V2000 6.9727 -0.4393 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0783 0.6308 -1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 0.8327 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 0.0426 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 0.1630 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 1.1747 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8929 0.5080 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.0554 -1.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2253 0.3667 0.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -0.2778 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 -1.4768 1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -2.4325 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 -2.2257 1.6578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 -3.5987 0.3660 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.5040 0.7463 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 0.3437 -0.0687 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8217 -0.3410 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5516 -0.3927 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5605 1.5908 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -0.4700 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1451 -0.1736 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4195 -1.3971 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 1.2416 -2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2808 1.6186 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9986 -0.7440 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 -0.5365 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 1.7769 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9213 1.8174 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 -0.5935 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -1.9930 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 -1.1754 2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 1.5947 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 1.1524 1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5395 -1.3889 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2033 0.2379 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8819 -0.2363 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0061 -0.4398 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5122 0.1408 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -1.3887 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6241 1.2806 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4204 2.3041 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 2.1017 -1.2171 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 2 3 5 6 1 0 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 5 26 1 0 6 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