HMDB0006469 RDKit 3D Linoleyl carnitine 76 75 0 0 0 0 0 0 0 0999 V2000 9.4100 2.8345 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6143 1.3786 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2670 0.6844 0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4837 -0.7723 0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 -1.4507 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4088 -1.2554 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 -0.6966 1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3317 -0.0527 0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 0.0563 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0296 -0.4469 -1.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 -1.2455 -2.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 -1.5794 -1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 -0.3391 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 -0.5908 0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 -1.6204 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 -1.2685 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5096 -0.0117 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 -0.1114 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 -0.2884 1.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8494 -0.0120 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8155 -0.1021 0.8862 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5610 -1.3827 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6076 -1.6811 1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8779 -0.9709 2.6584 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3496 -2.8537 1.4607 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5992 1.1322 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3758 1.6325 0.0023 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.9614 2.9807 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5037 0.8420 -1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7548 1.8288 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3769 3.0954 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1596 3.4456 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5548 3.0430 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1310 0.8687 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1416 1.2864 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6207 0.8654 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 1.2049 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1175 -0.9569 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9199 -1.2120 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -1.1701 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3918 -2.5568 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 -1.6964 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 -0.7012 2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2165 1.0439 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2976 -0.4396 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5639 0.7217 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5801 -0.1691 -2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -2.2105 -2.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -0.7255 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 -2.1788 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1172 -2.3073 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5101 -0.0353 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 0.5432 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 0.3814 0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 -0.9299 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 -2.5484 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 -1.8832 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1192 -1.2916 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4545 -2.1067 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8769 0.9016 -0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0966 0.0387 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2238 -0.2481 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8873 -1.5727 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7779 -2.2129 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7977 -3.7039 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1977 1.0719 2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8636 1.9765 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8339 3.4073 -0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8343 3.6339 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1170 2.9648 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3598 0.1216 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8884 1.5555 -1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5967 0.4272 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8697 2.7890 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0554 1.0266 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4732 1.8049 -0.3494 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