HMDB0240854 RDKit 3D 11-MethylHexadecanoylcarnitine 76 75 0 0 0 0 0 0 0 0999 V2000 9.3794 0.9285 2.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 0.3469 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6685 -0.4467 1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4714 0.2462 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8893 1.3796 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3668 1.2593 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 0.7888 -1.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 0.7723 -0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6037 -0.5594 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 -0.8990 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 -0.9104 -1.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6184 -1.2042 -2.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 -2.4664 -2.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 -2.9288 -1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -1.9771 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 -1.6693 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4384 -0.7179 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 -0.3326 0.9542 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6615 -0.2311 -0.5721 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4099 0.7189 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 1.9234 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0652 3.1459 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3606 3.4216 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3415 4.1572 -1.0410 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.6797 -0.0439 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 0.4266 1.3202 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3481 0.9153 2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5434 -0.7985 1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6686 1.3010 0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 0.3335 3.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0555 1.9747 2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5046 0.9462 2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9406 1.1043 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7304 -0.3945 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9336 -1.2271 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -1.0736 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 -0.5153 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 0.6436 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5155 2.3326 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 1.6854 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 2.4040 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2839 1.2803 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 -0.3021 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 1.1782 -2.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 0.8342 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 1.5040 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6691 -0.5593 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1915 -1.4089 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5614 -0.1053 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 -1.8313 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.1065 -2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7229 -1.5854 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7344 -1.0332 -3.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1442 -0.3760 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0638 -2.3581 -2.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4005 -3.3208 -2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -3.2070 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 -3.8934 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 -1.0229 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6405 -2.4311 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 -1.3303 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2858 -2.6174 -1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 0.8318 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4076 2.1900 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9367 1.6309 -1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1042 -0.2633 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3665 -1.0680 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8049 1.8957 2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6595 0.2119 3.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2338 0.9729 2.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5919 -0.5053 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1390 -1.2710 2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4724 -1.4999 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6977 0.8433 0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8219 2.2598 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3924 1.4907 -0.4106 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 6 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 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 25 66 1 0 25 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 29 74 1 0 29 75 1 0 29 76 1 0 M CHG 2 24 -1 26 1 M END