HMDB0241161 RDKit 3D Undec-3-enoylcarnitine 56 55 0 0 0 0 0 0 0 0999 V2000 6.4717 -1.5295 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6224 -1.0681 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1862 0.3474 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2878 0.7790 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8064 0.6626 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 1.2391 2.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 0.5185 2.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 1.1322 3.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 1.6872 2.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 1.7856 1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 1.0533 1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8885 0.4796 2.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 1.0209 0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 0.3750 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 1.3797 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 2.5755 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2181 3.5068 -0.2193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 2.6644 1.3892 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1501 -0.8051 -1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3092 -1.5695 -1.2986 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.2584 -1.7160 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 -1.1425 -2.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 -2.9404 -1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3385 -2.1459 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9788 -2.2457 0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9591 -0.7289 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7065 -1.7247 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1522 -1.2924 -2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1556 0.9585 -1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 0.6330 -2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 1.8129 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 0.1589 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 -0.4364 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7914 1.1251 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 2.3232 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 1.1237 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 0.4262 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -0.5533 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 1.0964 4.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 2.1248 3.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3074 2.8924 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5745 1.5090 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 -0.0287 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8071 1.7950 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2308 0.9594 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -0.3741 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 -1.4075 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1763 -1.0898 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6658 -2.7701 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 -1.6668 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -0.8740 -2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0604 -1.9811 -3.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5173 -0.2644 -2.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3004 -3.3442 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1888 -2.9232 -2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7209 -3.5233 -1.8301 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 1 0 8 9 2 3 9 10 1 0 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 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 23 56 1 0 M CHG 2 18 -1 20 1 M END