HMDB0050888 RDKit 3D TG(20:3(5Z,8Z,11Z)/15:0/22:1(13Z)) 174173 0 0 0 0 0 0 0 0999 V2000 6.6887 0.9926 -5.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6328 0.3736 -4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9013 -0.0837 -3.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 -0.7012 -2.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0263 -1.1449 -1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 -1.7714 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1544 -2.2859 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 -3.2738 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 -3.9739 1.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -3.9920 1.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0441 -3.2928 0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 -2.6427 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.4330 2.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 -0.2570 1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 0.7686 2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 1.2982 1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 0.9795 0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 2.2828 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0959 2.9500 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4449 2.2053 -1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 2.3009 -2.7848 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 1.3640 -1.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8039 0.7208 -2.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 -0.1519 -2.2382 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6337 0.5934 -1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8804 1.1937 -0.8161 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 2.1811 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2994 2.9969 -0.3066 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 2.3627 1.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 3.4195 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 3.6794 2.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 2.3788 2.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 2.6184 4.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5993 1.5366 4.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1358 0.2422 5.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -0.6227 4.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0776 -1.9942 4.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 -1.9352 5.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 -1.2607 5.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3423 -1.3312 7.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 -1.9167 7.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 -2.6090 6.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 -4.0731 6.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 -4.9089 6.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 -4.9686 5.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0506 -5.5752 4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5715 -5.6416 3.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 -6.2533 2.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 -7.6554 2.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3325 -0.7553 -3.5671 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 -2.1163 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -2.7878 -2.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0518 -2.8615 -4.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -2.1766 -6.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3629 -0.8747 -6.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 -0.8367 -6.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 0.5753 -6.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6954 0.8538 -6.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5008 0.6759 -5.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0408 1.5830 -4.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1406 3.0392 -4.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6421 3.8515 -3.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 5.3284 -4.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 6.1134 -2.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0024 5.9069 -1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 6.7440 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6581 0.5820 -5.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5681 2.0987 -5.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0518 0.7746 -6.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0888 -0.5281 -5.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4251 1.0964 -4.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4325 0.7936 -3.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1029 -0.8026 -3.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 0.0460 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3538 -1.5911 -3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 -1.8313 -1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -0.2332 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5085 -2.6063 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6259 -1.0107 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9362 -2.8662 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 -1.4703 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 -2.8420 -0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6611 -4.0338 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -4.5981 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7823 -4.6136 2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 -2.6007 0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 -4.1176 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 -3.4053 2.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -1.2188 3.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8165 -0.5397 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 0.1863 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 1.0769 3.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4569 2.0819 2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 0.2581 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 0.6798 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9668 2.0118 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8143 2.9794 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 3.9192 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 3.2492 0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 0.1302 -3.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 1.4694 -3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 -0.9625 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 1.3816 -2.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 -0.0648 -2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 2.6819 2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7337 1.4249 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 3.1302 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8237 4.3403 0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9389 4.3993 2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 4.0537 3.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 1.7419 3.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 1.8897 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 3.5476 3.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0502 2.9996 4.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3869 1.3677 3.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3184 2.0231 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 0.3205 6.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0766 -0.3462 5.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 -0.2010 3.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -0.8275 3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 -2.5246 3.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0008 -2.5760 4.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -1.3940 6.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 -2.9672 6.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3237 -1.6531 5.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 -0.1592 5.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9556 -0.8208 7.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 -1.8767 8.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -2.1219 6.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -2.6237 5.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 -4.5139 6.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3347 -4.0515 8.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0332 -5.9540 7.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 -4.4924 7.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 -3.9823 5.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8729 -5.5944 5.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 -4.9828 4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3146 -6.6060 4.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 -4.6207 2.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -6.2702 3.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 -6.2920 1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3765 -5.6708 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -7.5850 3.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 -8.1886 3.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 -8.1760 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1043 -3.2031 -4.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -3.8173 -4.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3823 -2.0131 -6.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 -2.8347 -7.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 -0.0398 -5.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0187 -0.5708 -7.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 -1.1884 -5.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 -1.5498 -7.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 1.2978 -6.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 0.7688 -7.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 0.1650 -7.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8553 1.8684 -7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5391 0.9860 -5.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -0.3413 -5.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7512 1.4332 -3.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 1.3295 -4.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5073 3.3192 -5.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1794 3.2763 -5.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 3.5720 -3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1802 3.5722 -2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7846 5.5784 -4.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 5.5527 -4.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 5.8418 -2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1494 7.2125 -3.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9629 4.8567 -1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0465 6.2754 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 6.7191 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 6.4221 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 7.8163 -0.8249 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 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 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 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 24 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 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 6 79 1 0 7 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 0 23101 1 0 24102 1 1 25103 1 0 25104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 47139 1 0 47140 1 0 48141 1 0 48142 1 0 49143 1 0 49144 1 0 49145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 61162 1 0 61163 1 0 62164 1 0 62165 1 0 63166 1 0 63167 1 0 64168 1 0 64169 1 0 65170 1 0 65171 1 0 66172 1 0 66173 1 0 66174 1 0 M END