HMDB0053758 RDKit 3D TG(20:3n6/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -2.1063 4.2740 2.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5223 4.6714 1.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 5.7976 2.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0179 5.7575 3.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9674 4.6306 3.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3231 5.0715 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1831 4.5658 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2302 3.4139 1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2051 2.4462 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6497 2.0839 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9717 2.6007 -0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0829 3.1389 -1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8059 3.2188 -1.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 2.7113 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 1.5776 -1.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 1.4652 -1.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9358 2.4625 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 1.7663 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 2.7293 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 2.2043 0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 1.5195 2.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 0.2554 2.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 -0.1751 3.2563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -0.5862 1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -1.7909 1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2838 -2.3980 -0.1999 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8205 -3.4344 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2628 -3.9290 -1.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5301 -4.6746 -2.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -4.9966 -1.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 -5.1121 -3.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2106 -5.8485 -4.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 -7.1401 -3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 -8.3198 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -8.4680 -2.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -8.4750 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 -9.5451 -1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 -9.3532 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -8.0399 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 -8.1143 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 -7.4482 2.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 -6.5038 2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5713 -7.0802 2.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0173 -6.5009 4.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -5.2080 4.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 -4.2549 4.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -4.0494 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6347 -3.0913 3.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2482 -2.9267 2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 -2.7694 -0.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 -2.1280 -1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -1.1341 -2.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 -2.6165 -2.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 -1.7934 -3.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2014 -0.4015 -3.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3646 -0.5875 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 0.6070 -1.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 1.7163 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 2.5900 -1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 3.2685 -2.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 4.5864 -3.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 5.5516 -1.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 6.4958 -2.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3495 7.4429 -1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 8.3765 -1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 9.3002 -2.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 10.2142 -2.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 5.0347 3.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 4.3363 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 3.2704 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1692 3.7976 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 5.0680 0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3347 6.7186 2.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2411 6.6702 4.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 3.7340 3.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9536 4.3475 4.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6173 6.0224 3.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1747 5.2063 2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1701 2.7871 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6995 3.7107 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7949 1.8790 2.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9209 1.2518 0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8418 3.3462 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5789 1.7564 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6153 3.5831 -2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3303 3.6990 -2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 2.5230 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 3.5692 -0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8313 0.7801 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 0.5721 -2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 3.3890 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 2.7320 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 1.0009 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 1.3598 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 3.6030 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 3.1858 -0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 1.4125 0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 2.9650 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3226 2.2179 2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 1.3852 2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 -1.5785 1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -2.4916 1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1501 -1.5415 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 -4.2322 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -2.9054 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -5.5226 -3.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 -4.1164 -4.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 -6.0385 -5.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -5.1567 -4.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -7.0552 -3.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -7.3989 -4.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 -8.4319 -4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 -9.2922 -3.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0127 -9.4701 -2.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3339 -7.7471 -2.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -8.7753 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -7.4768 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -10.5926 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 -10.1861 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -7.8984 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -7.1990 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 -8.7829 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 -7.5670 3.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -6.5218 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 -5.4896 2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9403 -8.0738 2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7787 -7.0416 4.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -5.3142 5.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -4.7377 3.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4514 -3.3039 5.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5234 -4.7076 5.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7076 -3.6452 2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 -4.9738 2.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -2.1265 3.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3725 -3.5361 4.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9919 -1.9295 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -3.6660 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3515 -3.0006 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 -2.7615 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 -3.6662 -2.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 -1.6751 -4.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -2.2916 -4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 0.0550 -2.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 0.1840 -4.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -1.3114 -2.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0149 -1.1616 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 1.0648 -2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0824 0.2931 -1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4126 2.4078 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1737 1.3575 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3066 3.3775 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 2.0533 -1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 2.6818 -3.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 4.9839 -4.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6048 6.2682 -1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 5.1828 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7067 7.0376 -3.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 5.8826 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 6.7806 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3339 7.9434 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 8.9580 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 7.7539 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 9.9503 -2.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 8.7912 -3.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 9.9405 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 10.3279 -3.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 11.2319 -2.1353 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 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 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 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 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 49138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 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 67167 1 0 M END