HMDB0240923 RDKit 3D 3-Methylicosanoylcarnitine 88 87 0 0 0 0 0 0 0 0999 V2000 8.5696 4.1981 -0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2684 3.5051 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5572 2.3807 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 1.1555 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3881 1.3209 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 0.1102 -1.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1203 -0.8865 -1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 -1.5217 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6690 -2.6971 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -2.5482 0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 -2.3531 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 -2.1710 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3446 -3.3415 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0828 -3.3168 0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 -2.3338 1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5444 -0.8861 1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 -0.4789 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -0.8081 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1693 -0.3538 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 -0.2195 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8977 -0.6553 0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3156 -1.7600 1.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7989 0.1054 0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 -0.2523 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4062 -0.6796 -1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1208 0.2655 -2.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0161 1.0509 -2.9756 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8615 0.3399 -3.1544 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.1715 0.5391 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2603 1.9299 0.4200 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.0893 2.6371 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5879 2.5079 1.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4043 2.3386 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6953 5.3363 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 4.0331 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 4.0659 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4857 4.2720 0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3198 3.2038 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5709 2.7533 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1416 2.0063 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9599 0.3577 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2913 0.8094 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4553 1.9171 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8725 2.0441 -1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9846 -0.4545 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 0.4161 -2.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1644 -0.2220 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -1.6280 -2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2693 -0.7586 0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5483 -1.8017 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8654 -3.5771 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1865 -3.0656 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 -1.7441 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -3.4879 1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -3.3200 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6157 -1.5521 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3789 -1.9931 -1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 -1.2058 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9827 -3.4952 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 -4.2700 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 -4.3479 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 -3.2824 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -2.5992 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.4698 2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 -0.4032 2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 -0.4494 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 0.6210 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 -0.9374 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 -1.9232 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9102 -1.0932 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3564 -0.3181 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 0.6221 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2045 -0.7103 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 0.8558 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2082 -1.2845 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 -1.6179 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4638 -1.0259 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0644 0.3209 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1609 0.0898 0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2615 3.7229 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2272 2.3426 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8825 2.6784 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9514 3.5276 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3509 1.8713 2.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6534 2.5962 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9857 1.4767 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0971 3.0201 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0126 2.9561 -1.2694 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 24 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 9 52 1 0 10 53 1 0 10 54 1 0 11 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 31 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 33 88 1 0 M CHG 2 28 -1 30 1 M END