HMDB0010550 RDKit 3D TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 175174 0 0 0 0 0 0 0 0999 V2000 1.5097 3.1434 -10.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 2.0531 -11.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 0.8647 -11.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 -0.2980 -10.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -0.5892 -10.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 -1.0541 -9.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 -0.4930 -8.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 0.7243 -8.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 0.4433 -8.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 1.0284 -7.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 2.0794 -6.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3203 3.3280 -6.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7762 4.4629 -7.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3236 4.6939 -7.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 5.7164 -6.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 5.4894 -5.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 4.2602 -5.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 4.6641 -5.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 3.5839 -4.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 2.8165 -3.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 3.3961 -2.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 4.3166 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 5.3391 -2.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 4.0497 -0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 4.9166 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 4.5189 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3288 3.1576 1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3853 2.6868 0.8249 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 2.3658 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 2.5004 -1.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9006 1.8592 -1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9766 1.5965 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 0.5363 1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8406 0.3594 1.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8151 -0.6403 2.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 -0.4328 4.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 -1.3297 4.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7309 -2.6675 3.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -2.9996 3.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 -4.0577 3.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -4.8959 4.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 -5.1449 6.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6719 -4.7316 6.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -3.8177 6.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5877 -4.5442 5.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 -4.1134 6.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 -2.8645 7.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -2.0469 6.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9663 -1.7153 7.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 -2.0838 8.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2974 -0.8164 9.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 4.5752 2.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4353 5.4391 3.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 6.2385 3.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 5.3861 4.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 4.0698 4.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 3.5995 5.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 3.5844 5.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3528 2.5686 5.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0777 1.1723 5.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1725 0.5965 5.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8559 -0.1329 5.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -0.4258 3.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 0.0291 2.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -0.7979 1.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -2.2676 1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 -2.3942 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 -3.1518 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 -4.0062 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 -5.4565 -0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -6.0022 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -6.0829 1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 -6.6705 2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 2.6715 -9.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 3.7276 -10.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 3.7941 -10.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2548 2.4524 -12.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0399 1.9243 -11.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 0.9885 -11.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 -1.1297 -10.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.1785 -10.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 -1.5331 -11.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.9593 -8.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 -0.9081 -7.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 1.1495 -9.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 1.5291 -7.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -0.3309 -9.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 0.7291 -7.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 1.6653 -5.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 2.2390 -6.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4323 3.2672 -6.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4468 5.3448 -7.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 5.2046 -8.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6813 3.8292 -7.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 6.7103 -6.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 6.3629 -4.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4269 3.4831 -5.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 3.8502 -4.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 4.9105 -6.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3769 5.6230 -4.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 4.0179 -4.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 2.8164 -5.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 2.0382 -3.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1141 2.1686 -3.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2713 3.8945 -2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4345 2.5588 -1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1076 4.9994 -0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 5.9273 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5387 5.2424 1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4282 2.4152 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 3.0054 2.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 2.6430 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7369 0.9567 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8502 1.1725 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3777 2.5124 0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7842 0.9778 1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3633 -0.3899 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7683 0.2269 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0604 1.3646 2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8003 -1.6495 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8847 -0.5496 3.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 0.5495 4.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -1.0441 5.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -3.4366 4.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3569 -2.6891 2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 -2.4016 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 -4.2321 3.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4064 -4.8161 5.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3079 -6.0036 4.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3764 -5.8486 6.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -5.0397 7.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 -3.0116 6.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 -3.2674 5.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 -5.4954 5.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 -4.6848 6.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 -2.1734 7.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -3.0641 8.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7989 -1.7655 5.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7614 -1.1099 6.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -2.7426 9.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2338 -2.5088 8.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6148 -1.1387 10.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0912 -0.1509 9.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3184 -0.3342 9.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5468 5.5691 3.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 6.1934 4.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 3.2466 4.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 4.1176 5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 2.7163 6.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 4.3909 6.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0896 4.5947 5.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4497 2.8257 5.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5668 0.5393 4.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 0.8180 6.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 0.7024 6.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -0.5700 5.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 0.2453 3.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.4297 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8006 1.0782 2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8428 -0.4007 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 -2.5790 2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6237 -2.8307 2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4279 -1.7972 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 -3.1330 -1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -3.9678 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.6636 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 -5.5206 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 -6.1019 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 -5.4177 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -7.0220 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4204 -6.8057 1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 -5.0928 2.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 -7.6545 1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5421 -6.0243 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 -6.7973 3.2345 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 1 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 1 0 29 30 2 0 29 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 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 0 27110 1 0 27111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 68164 1 0 69165 1 0 69166 1 0 70167 1 0 70168 1 0 71169 1 0 71170 1 0 72171 1 0 72172 1 0 73173 1 0 73174 1 0 73175 1 0 M END