HMDB0242180 RDKit 3D Undecenoylcarnitine 56 55 0 0 0 0 0 0 0 0999 V2000 7.2913 -1.8015 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7805 -0.4981 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -0.3038 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9606 -0.3858 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -0.1601 1.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9603 1.1612 1.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 1.7809 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 0.9326 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 0.6678 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 0.4217 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -0.3906 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 -0.8188 -1.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 -0.6358 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9307 -0.4632 1.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 -1.9694 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 -3.0546 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 -3.4852 1.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5676 -3.6115 -0.9902 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7967 0.4905 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0871 0.7826 -0.2793 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.0214 1.8482 0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 1.4766 -1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9629 -0.2293 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.9270 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7531 -2.7008 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 -1.7213 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -0.3778 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 0.3249 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7858 -1.1624 -0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0164 0.5880 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2482 -1.4474 1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6397 0.2765 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 -0.9098 1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -0.4868 3.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9787 1.1595 2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 1.9276 2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1247 2.7647 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 2.1620 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4151 0.0192 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 1.5133 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 1.4581 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 0.7543 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 -1.2726 1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4343 -2.0318 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 -2.2655 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 1.4152 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7649 0.3047 -1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 2.8540 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1226 1.7377 1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9487 1.7576 1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 2.5550 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5338 0.9894 -2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 1.3270 -1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8949 0.3309 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3835 -0.8881 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6509 -0.7826 1.0767 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 1 0 9 10 2 3 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 13 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 8 40 1 0 9 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