HMDB0052691 RDKit 3D TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 12.2147 -1.1525 4.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9276 -1.9759 4.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0411 -1.8504 5.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8318 -1.3601 5.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2636 -0.8853 4.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9003 0.5395 4.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 0.9414 4.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 0.1069 4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 0.1979 5.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2946 0.6577 5.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 1.1364 3.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4164 2.5583 3.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 2.9002 3.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 1.9896 3.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 2.3178 1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 1.2648 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 1.5162 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 0.6143 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8323 -0.8201 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -1.6446 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 -2.8213 0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -1.4203 1.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 -2.4278 2.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -3.6694 2.7199 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4731 -3.3750 3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3568 -2.5589 2.8294 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0965 -2.7814 1.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9525 -3.8822 1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0310 -1.7549 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0018 -2.2404 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4601 -2.7661 -1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6708 -1.6985 -1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1259 -2.2101 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 -1.2350 -3.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1067 0.0260 -4.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2672 0.9410 -5.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9102 2.1582 -4.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3256 2.7933 -3.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1281 4.0168 -3.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3605 4.1273 -3.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1299 3.1545 -2.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4008 2.7074 -3.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2869 3.9203 -3.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5535 3.5015 -4.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2132 2.8558 -5.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -4.6215 3.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -5.8290 2.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3578 -6.0021 1.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 -6.8861 3.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 -6.6785 3.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -6.5722 2.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 -6.4142 2.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 -5.3875 1.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 -4.2399 1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -4.0101 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 -2.9102 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 -1.8303 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 -1.6734 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6593 -0.6041 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 0.6193 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 0.9537 -1.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8668 2.0685 -1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1289 3.1712 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3732 4.3866 -1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4765 5.5769 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 6.1818 -0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 5.3606 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8354 -1.5902 5.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0113 -0.0804 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7748 -1.3103 3.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5144 -1.9764 3.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3499 -3.0574 4.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4604 -2.1968 6.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 -1.3067 6.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5025 -1.5097 3.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1392 -0.7848 3.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7097 1.2492 4.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 2.0252 4.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 0.1710 3.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8451 -0.9889 4.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8294 -0.1529 6.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 0.7166 5.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 1.1548 2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0912 0.4356 3.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1346 3.2938 4.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 3.9696 3.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 0.9275 3.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7387 2.2168 3.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 3.3273 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 2.3081 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 1.2432 2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 0.2992 1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 2.6016 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 1.5364 -0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 0.8158 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 0.9905 -1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9269 -0.9025 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -1.3534 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -1.9671 3.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 -2.6846 2.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 -4.0998 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -4.4027 3.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2149 -2.9806 4.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 -0.8719 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6334 -1.3281 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7798 -1.4484 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5936 -3.0718 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3432 -3.0793 -1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8964 -3.6846 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4209 -0.8723 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9115 -1.3415 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -3.0817 -2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9903 -2.5166 -3.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3942 -0.9013 -3.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0298 -1.7600 -4.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9284 -0.3360 -5.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5081 0.4196 -3.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9172 0.5242 -6.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2914 2.7061 -5.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8369 2.1519 -2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3528 3.1805 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6791 4.8414 -4.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8474 5.0999 -3.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5902 2.3173 -2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5241 3.7329 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 2.2272 -4.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9205 1.9720 -2.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5259 4.3621 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7782 4.6784 -4.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1377 4.4278 -4.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1380 2.7650 -3.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9256 3.1551 -6.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1748 3.1835 -5.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1915 1.7402 -5.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -7.8571 3.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 -7.0708 4.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5618 -7.5478 4.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3837 -5.7477 4.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1241 -5.8912 1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 -7.6009 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -7.2706 2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -5.3580 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 -4.3925 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -3.3426 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4209 -4.7742 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 -2.7558 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9433 -0.9467 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3832 -2.1299 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 -2.5896 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7395 -0.5587 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 1.3885 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 0.4847 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1615 0.1854 -2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1745 2.2638 -2.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 2.9338 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2265 3.4267 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 4.1047 -1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 4.6602 -2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 6.4053 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9443 5.4411 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6331 7.1095 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 6.5963 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6575 5.0343 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 4.5257 0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3483 5.9964 1.1812 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 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 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 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 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END