HMDB0048379 RDKit 3D TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6) 159158 0 0 0 0 0 0 0 0999 V2000 -0.0682 -1.0882 4.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5081 -1.0240 3.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -0.6149 2.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 0.4617 2.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 1.3972 1.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 2.6706 2.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 3.7808 1.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 4.0254 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 5.1023 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 5.0358 -1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 3.9230 -2.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 3.4134 -2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 3.4883 -3.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8618 4.0333 -4.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 3.0919 -5.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 2.6240 -6.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5734 2.8143 -6.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 3.6200 -5.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 3.0918 -4.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 1.7751 -4.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0927 0.9794 -3.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 0.4669 -3.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 0.8616 -4.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -0.5380 -2.3369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0459 -1.0935 -2.4721 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2864 -2.4595 -3.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 -3.1412 -2.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8179 -4.3021 -2.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 -4.7297 -4.0528 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -5.1261 -2.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -5.0268 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 -3.6560 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -3.6200 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6227 -4.4054 1.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6144 -4.3638 3.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7947 -4.9979 3.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7996 -6.0631 4.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6151 -6.8462 4.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 -6.8137 6.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -6.3932 6.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 -5.9339 6.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 -6.8492 6.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 -6.4661 6.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5921 -5.0815 7.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 -4.7642 6.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 -5.0494 4.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 -4.8175 3.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -5.1798 2.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 -1.4106 -1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3937 -0.3786 -0.5336 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -0.7348 0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 -1.9860 0.6111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 0.1333 1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 1.6334 1.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5383 2.3272 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6225 3.7723 2.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2877 4.6282 1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 4.6189 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 5.6050 -0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 5.3027 -1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4569 5.0315 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 4.9769 -3.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9979 3.5908 -4.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3425 3.5399 -5.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 2.1552 -6.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -2.0414 4.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -0.2808 5.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 -1.1191 4.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2141 -0.5501 2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 -2.1268 2.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 -1.2814 3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 0.7207 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 1.3816 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 1.0300 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1893 2.6493 3.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 4.6965 2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 3.1331 -0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2404 4.3296 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 6.0668 0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0675 5.9185 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 3.0261 -1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 4.3074 -3.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 2.9863 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 3.0810 -3.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 4.5771 -4.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 4.8532 -5.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 2.7268 -6.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 1.9058 -7.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 1.7841 -6.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 3.2784 -7.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 4.6987 -5.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3098 3.8464 -3.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4705 1.1536 -5.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6609 1.9140 -4.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 0.0710 -3.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 1.5210 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5527 -0.4995 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 -2.9829 -3.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 -2.2477 -4.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 -4.8777 -2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 -6.2066 -2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 -5.5002 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -5.6655 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 -3.2439 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 -2.9423 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5537 -2.5396 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 -3.9480 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -3.9078 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6016 -5.4419 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6401 -4.6656 3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 -3.2481 3.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7681 -4.5266 3.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7735 -6.4261 4.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8116 -7.9375 4.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7628 -6.4667 4.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1921 -7.1301 7.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 -6.3789 8.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 -5.8613 5.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 -4.8955 6.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -7.9270 6.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9654 -7.2447 7.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 -4.9715 8.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 -4.3692 7.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 -3.7308 6.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 -5.4419 6.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -4.3991 4.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 -6.1321 4.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -3.7777 3.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 -5.5496 3.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -4.7677 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1367 -4.8246 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 -6.2920 2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 -2.0988 -0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 -2.0791 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 -0.0778 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 0.0709 2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.9382 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 1.7142 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 1.8295 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 1.9665 3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 4.0892 3.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 4.1850 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 5.7024 1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3871 4.3359 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6703 5.0881 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 3.6494 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3618 6.5993 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 5.7032 -1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5212 5.2943 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 4.8199 -2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 5.6548 -4.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 5.2944 -3.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0809 3.3808 -4.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4799 2.8131 -3.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 3.6968 -5.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 4.2663 -6.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 2.0071 -6.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 1.3673 -5.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9489 1.9891 -7.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 65159 1 0 M END