HMDB0240852 RDKit 3D 4-Methylpentadecanoylcarnitine 73 72 0 0 0 0 0 0 0 0999 V2000 9.4192 0.7867 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 0.9798 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0602 0.5002 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1382 -0.9474 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8361 -1.4874 -0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 -1.3653 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -1.9134 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -1.2154 -1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 0.2646 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 0.5053 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -0.1360 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 0.1207 0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.4889 2.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 1.5611 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 2.3497 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 1.8212 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 2.3817 -1.4087 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 0.8075 0.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7607 0.3894 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5567 -1.0091 -0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0755 -1.9698 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8413 -3.1547 -0.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8675 -1.6208 1.4564 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.8044 0.5332 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1448 0.2267 0.4083 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9142 0.4781 1.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5062 -1.0583 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7171 1.1943 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1724 1.6053 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8968 0.6760 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9976 -0.1642 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6308 0.3971 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3238 2.0602 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2931 0.6926 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7728 1.1005 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -1.5280 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 -1.1149 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5965 -0.9251 -1.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9455 -2.5527 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -0.3411 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0786 -1.9817 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 -1.8096 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5876 -2.9776 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 -1.7415 -1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 -1.3030 -2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 0.6871 -2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 0.7085 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 1.6025 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 0.1120 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 0.3241 -1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 -1.2420 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 -0.4044 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 -1.4777 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 0.1925 2.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -0.5494 2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 2.0921 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5665 1.5896 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 3.4462 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 2.2970 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9589 1.0521 -1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -0.9467 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4035 -1.3711 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4817 0.0413 1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8049 1.6318 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9596 0.7025 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 1.2925 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9471 -0.5012 2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7165 -1.0858 -1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9158 -1.9115 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5481 -1.2827 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9057 1.6256 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2209 2.0331 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4355 0.7160 -1.2276 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 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 19 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 0 24 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 28 73 1 0 M CHG 2 23 -1 25 1 M END