HMDB0297594 RDKit 3D DG(18:1(12Z)-O(9S,10R)/0:0/a-15:0) 108108 0 0 0 0 0 0 0 0999 V2000 -17.1445 -2.0528 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1770 -1.5210 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7625 -1.8694 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8250 -1.3280 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3535 -1.5834 -0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1046 -0.9220 0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2431 0.0502 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4265 0.5818 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9496 0.3749 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0175 0.8291 -0.8354 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1780 1.6274 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9835 1.7061 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8865 0.7757 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 0.8967 1.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 2.3028 1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 2.7608 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 1.9961 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 2.0090 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 1.2007 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 0.0524 -0.0448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 1.7504 -1.4759 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 1.4445 -2.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3434 0.3898 -3.4613 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3066 0.3207 -4.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 -0.9725 -2.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 -1.3322 -2.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6416 -1.5661 -2.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 -1.5037 -4.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -1.9177 -1.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -0.6038 -1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 -0.7131 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 -1.4349 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9141 -1.5836 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4485 -0.2323 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7036 -0.3942 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 0.9535 1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 0.8201 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6070 0.1608 1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8657 0.0344 2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3357 1.4155 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9770 -0.5317 1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2601 -0.6781 1.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6230 -2.1096 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0085 -1.3568 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4434 -3.0708 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2954 -0.4218 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3488 -1.9273 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6597 -2.9778 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6705 -1.4408 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0387 -1.8610 -1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9362 -0.2423 -1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6969 -1.3506 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2726 -2.6992 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6899 -1.2765 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1161 0.4987 1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5436 1.7141 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6269 0.1829 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 -0.5283 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6335 2.5961 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3132 1.4273 2.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 2.7530 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2149 -0.2963 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4981 1.0004 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9421 0.1648 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0945 0.5945 2.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3719 2.3592 2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9638 3.0244 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7221 2.8283 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4898 3.8533 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 0.9354 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 2.3778 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 3.0244 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 1.5052 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8833 1.1876 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 2.3798 -3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6148 0.6284 -3.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8523 1.1508 -4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 -1.7069 -3.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 -1.0546 -2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 -2.4392 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.5149 -2.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6945 -0.0568 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 -0.0412 -0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3295 -1.2200 0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 0.3287 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 -2.4727 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 -0.9101 -2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7139 -2.2559 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6668 -2.0659 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7189 0.3148 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6248 0.3926 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4568 -0.8744 0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5268 -1.0750 1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3810 1.5870 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 1.4033 1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2788 0.1654 2.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8129 1.8172 2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8401 0.7913 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3149 -0.8612 0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 -0.6075 2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3860 1.3261 2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6593 1.7266 3.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2369 2.1487 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1011 0.1237 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6652 -1.5457 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8856 -1.4675 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8813 0.2614 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0628 -0.9822 3.0307 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 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 11 9 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 22 74 1 0 22 75 1 0 23 76 1 6 24 77 1 0 25 78 1 0 25 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 42108 1 0 M END