HMDB0054723 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/18:3(9Z,12Z,15Z)) 169168 0 0 0 0 0 0 0 0999 V2000 2.3205 -2.9059 3.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7133 -2.9866 2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -3.6721 3.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -4.7603 3.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 -5.4521 1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4555 -5.4622 1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -4.9098 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 -4.1891 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -4.8018 -2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7725 -4.1435 -3.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1699 -2.7203 -3.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 -1.9191 -3.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.4528 -4.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 0.2388 -4.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 1.7179 -4.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0711 2.3007 -5.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 2.0035 -4.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 2.5919 -3.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 3.3788 -2.9749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 2.3354 -2.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 2.9100 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 2.4021 0.0443 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2329 2.6867 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 1.8430 -1.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 1.8583 -2.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 2.7089 -2.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 0.9142 -3.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 -0.2234 -3.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -1.0049 -2.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2544 -1.6191 -1.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -2.3425 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -1.3904 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -1.1304 1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7257 -1.7452 1.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7333 -0.6951 1.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7946 -0.7389 1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1012 -1.8680 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4348 -2.3973 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6719 -3.5868 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6469 -4.6175 1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8463 -5.8700 0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9948 -6.3760 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 -5.7654 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5656 -6.7112 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 -8.0561 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 -7.9939 -2.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6761 -9.4150 -2.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 3.1284 1.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8228 2.4406 2.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 1.2019 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.9888 3.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 4.3405 3.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8911 4.7853 5.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 6.0994 5.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 6.0800 5.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 7.3971 6.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 8.5336 5.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 8.3296 3.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 9.4928 2.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6902 9.1619 1.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 9.0339 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 9.1985 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 7.8426 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 7.9213 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 6.5987 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 6.6930 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 5.3818 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -1.9429 3.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 -2.9417 2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1152 -3.7904 3.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -3.3962 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0114 -1.8920 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 -3.2061 4.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0147 -5.1834 3.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 -5.1350 1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 -6.5728 2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3225 -5.9670 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7141 -4.9566 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 -3.0996 -0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6843 -4.2638 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 -5.8574 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6423 -4.6923 -4.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5161 -2.2864 -2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0612 -2.6783 -3.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -2.1190 -3.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.3272 -5.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6068 -0.0258 -3.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 -0.3010 -4.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -0.1779 -5.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -0.0261 -4.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6467 2.1998 -3.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 1.8985 -5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1414 3.3900 -5.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 1.8227 -6.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 0.9348 -4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 2.4807 -5.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 2.7719 -0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 4.0234 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 1.3334 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2869 3.7695 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 2.4487 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 0.6181 -3.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 1.4921 -4.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9858 0.1876 -3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 -0.9149 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 -1.8711 -2.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -0.4588 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 -0.8925 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -2.4128 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -3.1289 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 -2.8653 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 -0.8468 0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0572 -0.3851 2.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9207 -2.6794 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -2.0373 3.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 0.1681 2.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5540 0.0687 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3641 -2.6153 0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2865 -1.3835 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3121 -1.7130 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7383 -3.8485 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7650 -4.9180 2.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6266 -4.2505 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 -6.4200 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2073 -7.3432 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5746 -5.6764 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4704 -4.8037 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6081 -6.8376 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5709 -6.2521 -0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -8.6313 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5429 -8.6169 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4391 -7.4272 -2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -7.5341 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4025 -10.1483 -2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7238 -9.6846 -3.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -9.6141 -3.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 3.0200 3.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 2.2946 4.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 4.3536 3.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9895 5.0635 3.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 3.9945 6.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 4.8747 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7561 6.9194 5.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 6.2488 6.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 5.3204 6.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6389 5.7391 4.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 7.3703 6.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 7.6478 7.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2503 8.7619 5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8638 9.4379 5.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 8.2922 3.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 7.3812 3.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 9.6208 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 10.4192 3.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7706 9.0217 1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2952 8.7808 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 9.4539 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 9.9241 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 7.5624 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 7.0956 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 8.6406 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 8.3312 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 5.8560 0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 6.2455 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2803 7.5219 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 6.9425 1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 5.0368 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2264 4.6532 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 5.4684 -0.1736 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 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 22 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 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 12 86 1 0 13 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 21 97 1 0 21 98 1 0 22 99 1 1 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END