HMDB0006461 RDKit 3D Linoelaidylcarnitine 76 75 0 0 0 0 0 0 0 0999 V2000 10.5279 0.0873 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4107 -0.9326 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6149 -0.7425 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -1.7431 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 -1.6846 -1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 -0.4981 -2.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 0.4530 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 1.6292 -1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 1.6428 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 0.7528 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 0.7390 1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 1.7585 1.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 1.5548 0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 0.2408 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8479 0.1379 1.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 1.1826 2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 1.2492 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7612 0.0374 0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5349 -0.9474 1.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7917 -0.1106 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5895 -1.2688 -0.0910 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2419 -1.9365 -1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -1.1425 -2.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4799 -1.2748 -3.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 -0.2446 -3.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9836 -1.1682 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -0.2643 -0.2091 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.4207 0.9710 -0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8639 -0.8838 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7717 0.1581 0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1491 0.0055 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1224 1.1082 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1426 -0.0684 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8589 -1.9378 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7657 -0.7436 1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 0.2735 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 -0.9727 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 -1.6596 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9054 -2.7981 -0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 -2.5877 -1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -1.8034 -2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1359 -0.3924 -2.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 0.4162 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 2.5359 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 1.5940 -2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.4861 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -0.0426 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -0.3018 1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 0.8554 2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1574 1.8322 2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 2.7929 1.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 1.4765 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 2.4109 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 0.1539 -0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 -0.5714 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1117 0.2628 2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 -0.8693 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 2.2004 2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3996 0.9435 3.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6176 2.1312 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 1.4608 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1265 -1.9741 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 -2.1834 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -2.9359 -1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5643 0.7479 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 -1.0573 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4427 -2.2033 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1799 1.8076 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5126 1.3688 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3740 0.8803 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8186 -1.1463 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1033 -0.2322 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4190 -1.8625 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2602 1.1170 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1346 0.3432 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5458 -0.6129 1.1051 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 21 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 21 62 1 1 22 63 1 0 22 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 28 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 29 73 1 0 30 74 1 0 30 75 1 0 30 76 1 0 M CHG 1 27 1 M END