HMDB0007196 RDKit 3D DG(18:1(11Z)/20:2(11Z,14Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 14.6737 0.8477 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1822 0.2954 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6211 1.1784 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1263 1.2158 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5872 -0.1829 -1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1291 -0.2085 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3896 -0.9277 -0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9305 -1.7783 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7168 -1.5825 1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0367 -0.6908 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2614 0.3956 1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8393 0.4334 2.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 -0.7176 1.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6435 -1.2121 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0055 -0.1656 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 0.3909 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 -0.6766 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 -0.0977 1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 0.9389 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.2970 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.4948 -2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3371 -0.4913 -1.0615 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 -1.0929 -2.2326 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1488 -2.6083 -2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -3.0267 -1.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 -0.6147 -2.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -1.0452 -1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5502 -0.8357 -0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2686 -0.1909 -1.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1374 -1.3781 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5909 -0.6730 1.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7108 0.7774 1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0064 1.4465 1.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9816 1.3375 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 2.1627 1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 2.0542 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6615 0.6616 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3101 -0.0105 0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4979 0.7340 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7337 0.2745 1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0604 -1.0980 0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0991 -1.1132 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3399 -0.4399 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4516 -0.4236 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2174 0.2583 -2.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1960 -0.3038 -2.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3285 0.4302 1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6079 0.5501 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7315 1.9572 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9041 -0.7613 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3046 0.3018 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 2.1939 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9267 0.7397 -2.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7892 1.8705 -2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6939 1.6745 -0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1242 -0.9515 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8895 -0.3493 -2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6225 0.4186 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2761 -0.8969 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0568 -1.8932 0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -2.9023 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2496 -2.3601 2.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0174 -0.7272 3.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 0.6380 0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7168 1.3492 2.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3727 1.3024 1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7821 0.8307 3.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9981 -0.4960 2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3304 -1.6386 2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5038 -1.6417 0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9276 -2.0834 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7394 -0.6705 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7509 0.6041 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 0.9757 1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 1.0833 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 -1.1281 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -1.5307 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 -0.9168 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8054 0.3533 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 1.3424 0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 1.7738 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4807 -0.8726 -3.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 -2.9510 -2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 -3.0148 -3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 -2.6280 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -1.0576 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 0.4749 -2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 -1.5447 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6541 -2.4411 0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -1.0117 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -1.1676 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 1.0550 2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 1.3264 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 1.0832 2.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 2.5521 1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5691 1.7642 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2862 0.2944 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6165 1.7516 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 3.1970 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 2.4299 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0604 2.7604 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8224 0.0638 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4373 0.7298 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 -0.0368 1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4645 -1.0700 0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2912 1.7901 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4982 0.9797 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5915 -1.5672 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2470 -1.7232 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2851 -2.1758 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6058 -0.6530 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6494 -0.9371 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1116 0.6568 0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8727 -1.4715 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3157 0.1195 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9811 1.3592 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1861 0.3197 -2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6050 -0.2922 -4.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2742 0.3216 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9217 -1.3533 -2.7881 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 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 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 6 24 83 1 0 24 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 M END