HMDB0006460 RDKit 3D Arachidyl carnitine 85 84 0 0 0 0 0 0 0 0999 V2000 12.0542 0.9653 1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5370 -0.0285 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1716 -0.5550 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6163 -1.5361 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3832 -2.2614 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0849 -1.5921 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9147 -0.6938 1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 -0.1694 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 0.6073 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 1.1137 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 1.8883 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 2.4373 -0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 1.2462 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 1.8105 -0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 0.6624 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -0.2548 -1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -1.4030 -1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -1.2831 -1.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3683 -0.4866 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8018 -0.7313 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -1.4712 -2.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8588 -0.1549 -0.6823 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2007 -0.2512 -0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7726 1.0899 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1815 1.6965 -2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2881 1.1580 -3.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6290 2.9452 -2.9265 O 0 0 0 0 0 1 0 0 0 0 0 0 -9.0500 -0.9237 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1122 -0.4232 1.4082 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.3262 0.3741 1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2925 -1.6033 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0184 0.2917 1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3109 1.1685 2.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3887 1.9033 0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 0.5477 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2735 0.4357 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2062 -0.9072 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3514 -1.0096 1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5883 0.3962 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4391 -2.3162 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2.5090 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 0.0459 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 1.0807 -0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1081 -0.6019 -1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3427 0.3102 -2.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 -2.0384 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 -2.1072 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8452 -1.0320 -2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9546 -2.3582 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1941 -0.7036 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2287 0.6320 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3195 -0.9066 -1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8794 1.0102 -1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7557 1.8046 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8509 -2.0358 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1014 -0.8687 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1797 1.0583 2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1756 -0.2857 1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6416 0.9064 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7566 -1.2501 3.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2854 -1.9979 2.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9429 -2.3523 1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9789 0.1700 3.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0207 0.0269 1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1160 1.4043 1.8375 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 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 23 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 10 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 28 75 1 0 28 76 1 0 30 77 1 0 30 78 1 0 30 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 M CHG 2 27 -1 29 1 M END