HMDB0297592 RDKit 3D DG(18:1(12Z)-O(9S,10R)/a-15:0/0:0) 108108 0 0 0 0 0 0 0 0999 V2000 14.6036 1.2053 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2259 1.0069 -1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7423 2.2819 -1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4051 2.1697 -2.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3609 1.7472 -1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0219 1.6304 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3516 0.5156 -2.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -0.7643 -1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 -1.3799 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5992 -1.6460 -0.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 -0.8448 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2751 0.5180 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 0.6448 1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0683 -0.3851 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 -0.2356 1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -1.2566 1.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -1.1971 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 -2.3051 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 -2.2126 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -1.7687 1.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -2.6236 2.5612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 -2.6472 3.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -1.3519 4.2129 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7379 -1.7354 5.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7685 -2.5600 5.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7926 -0.6908 3.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 0.6538 2.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 1.3214 3.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6599 1.2275 2.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 0.2660 1.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8463 0.8113 0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9596 -0.2143 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5015 -1.5263 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7921 -1.7132 -0.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3267 -1.4325 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7224 -0.1755 -2.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 0.6962 -2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1560 0.0571 -2.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2596 0.9785 -1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1029 1.6068 -0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5161 1.9915 -3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6393 2.9468 -2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5358 2.1058 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3442 1.3918 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8115 0.3375 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5647 0.6961 -0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3115 0.1566 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5085 2.6179 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7204 3.0532 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1327 3.1410 -3.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4467 1.4321 -3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3151 2.6227 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6640 0.9038 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5712 2.5221 -2.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 0.5394 -2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7971 -1.5467 -2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8365 -0.7678 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 -2.3094 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -1.4013 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 1.2796 0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8207 0.7801 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 0.4731 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6948 1.6424 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -1.4032 0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 -0.2812 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 0.7963 1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -0.4413 2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -2.2520 1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 -1.0460 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.2485 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 -1.3692 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3024 -2.3175 -0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 -3.2538 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 -3.1707 4.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -3.3541 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 -0.6807 4.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -0.8115 5.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -2.3282 6.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 -2.0361 4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0464 2.2186 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 1.3419 1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 0.1384 2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 -0.7492 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4192 1.1007 -0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2856 1.7108 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -0.3994 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8744 0.1835 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4649 -2.1648 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 -2.0987 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7257 -1.2472 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4488 -2.8385 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5304 -1.8675 -3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1440 -2.2495 -2.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7771 0.5076 -2.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8212 -0.2564 -4.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6098 1.3369 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9323 1.5074 -3.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4664 -0.3914 -3.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1103 -0.7431 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1868 0.3222 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9206 2.3791 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1664 2.1935 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2479 0.9158 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8216 1.3902 -3.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6056 2.5147 -3.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2039 3.8703 -2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3224 2.4114 -1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2078 3.1346 -3.6029 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 24 25 1 0 23 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 1 24 77 1 0 24 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