HMDB0053804 RDKit 3D TG(20:3n6/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) 171170 0 0 0 0 0 0 0 0999 V2000 7.4433 -0.9558 -2.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8423 -2.0631 -3.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 -2.8575 -3.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -4.1418 -3.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2638 -5.0073 -3.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0095 -5.6652 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8014 -5.5522 -0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7067 -4.6780 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -3.6400 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8367 -3.5465 2.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8313 -4.3925 2.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 -3.5130 3.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4884 -3.6388 2.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -4.6529 1.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -4.0938 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -3.2474 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 -4.0310 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -3.4037 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -2.1840 1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 -0.9128 1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 0.0290 2.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -0.5977 0.2758 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 0.7441 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 0.9251 -1.0815 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9489 2.2311 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0737 3.3448 -1.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 4.6096 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 4.6953 -1.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9332 5.8709 -1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5366 5.7702 -1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 5.4304 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 5.2880 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 5.0541 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 3.8733 2.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1507 3.6791 3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 3.7633 4.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 4.0604 5.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 2.8981 5.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4065 2.2322 5.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 2.4966 4.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 2.6330 4.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 3.6188 4.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 4.9271 3.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 6.0116 4.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 6.0341 6.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 6.2904 6.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 6.2603 7.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 0.6891 -2.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 -0.4080 -3.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -1.2235 -2.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 -0.7587 -4.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -2.2578 -4.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 -2.9619 -3.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9175 -2.5687 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 -3.4498 -4.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 -4.8645 -4.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -5.7260 -3.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 -5.3937 -2.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7207 -4.0021 -1.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1523 -3.8669 -2.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0332 -3.4101 -1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7636 -2.9691 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2128 -1.4711 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4058 -0.7517 -1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7509 0.6933 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9114 1.3106 -2.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2102 2.7531 -2.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2992 3.2152 -3.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8516 3.0209 -3.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7851 -0.7598 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 -1.2640 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4693 -0.0386 -3.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 -2.6433 -2.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 -1.5835 -4.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6316 -2.3084 -4.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9706 -4.6230 -4.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -4.5936 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0016 -5.8821 -3.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8342 -6.3267 -2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4376 -6.1068 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0946 -4.2143 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 -5.3404 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 -2.9233 0.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2812 -2.7591 2.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.7246 3.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 -5.3123 2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 -2.7359 3.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -2.9295 3.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 -5.4278 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -5.2046 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 -3.5094 -0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -4.9645 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -2.3697 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0769 -2.8874 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 -4.3637 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1366 -5.0365 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6341 -3.3463 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -4.2040 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 -2.0632 1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0481 -2.3704 2.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 1.4712 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0002 0.9251 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 0.1188 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 2.3283 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 2.3742 -0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 6.2650 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3341 6.6826 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 6.7452 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 5.0229 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6148 6.2395 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 4.4766 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 4.4557 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 6.2331 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1022 4.9448 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7992 6.0002 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6394 2.9507 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 3.9746 2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2324 3.4445 3.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2947 3.5886 5.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 4.4139 4.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 4.9101 5.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 2.5461 6.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 1.3748 6.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 1.6027 3.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 3.3810 3.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 1.7147 5.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 3.4870 4.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 5.0558 3.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1859 5.0526 3.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 5.8681 5.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 7.0026 4.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 5.0589 6.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4344 6.7985 6.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 7.3567 5.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 5.6690 5.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 6.3366 7.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2051 5.3374 7.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 7.1184 8.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 -0.4355 -4.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -0.3374 -5.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 -2.6341 -4.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 -2.6000 -5.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 -2.4773 -2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2653 -3.9990 -3.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 -1.4911 -3.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 -3.0385 -4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0142 -5.1928 -5.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 -5.2311 -3.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 -6.8495 -3.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8483 -6.1673 -1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7211 -4.0083 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0713 -3.1904 -2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4799 -4.1675 -3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0916 -3.3590 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7801 -3.0504 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 -3.4351 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0688 -1.0409 0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2787 -1.4205 -0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3284 -0.8024 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4711 -1.2891 -2.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8164 0.8661 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6202 1.2334 -0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8465 1.1996 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1325 0.7541 -3.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2508 2.8800 -2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0272 3.4041 -1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 4.2944 -3.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 2.6101 -4.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 3.7659 -3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5461 2.0037 -3.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7437 3.0947 -2.2409 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 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 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 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 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END