HMDB0052538 RDKit 3D TG(18:2(9Z,12Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 169168 0 0 0 0 0 0 0 0999 V2000 0.2447 4.6259 -6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 3.1575 -6.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0993 2.4750 -5.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 0.9838 -5.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 0.3314 -4.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2685 -1.1029 -4.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -1.6275 -3.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7413 -0.8648 -2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.2887 -0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 -1.7920 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -2.0140 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -3.4571 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 -3.8471 1.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 -2.9302 2.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -3.3044 3.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 -2.4442 4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -1.0641 4.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -0.9003 3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 -0.0443 4.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 0.9686 5.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 2.3956 4.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 2.6888 4.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6063 1.7865 4.3841 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 3.9885 4.2404 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 4.1195 3.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 3.8027 2.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0283 3.5998 1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9971 3.1510 0.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1652 2.8355 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2498 2.9781 0.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1168 2.3209 -1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 0.7989 -1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0977 0.1090 -2.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0789 -1.4012 -2.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2705 -1.9010 -1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2551 -3.4148 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0025 -3.7832 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 -5.2231 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9062 -5.7413 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9676 -4.9793 1.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8733 -4.9657 2.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6983 -5.4962 2.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 -6.2893 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8569 -5.6092 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 -5.4507 2.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -6.7381 2.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -7.6743 1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 2.6279 2.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 2.7504 1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 3.9329 0.9994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 1.7063 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 2.1561 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 3.0639 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 3.3952 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7582 3.9338 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 4.4683 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7494 4.8528 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0307 5.5333 1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2429 4.9458 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2205 4.7098 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5443 3.5862 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 2.3219 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 1.1297 -1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7633 1.0874 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1797 -0.2234 -1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8173 -1.4278 -1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6832 -1.5073 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 5.0927 -5.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 4.7767 -7.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 5.2081 -7.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2681 2.7789 -7.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 3.0884 -6.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 2.9857 -4.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 2.6679 -5.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 0.5562 -6.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 0.8345 -5.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 0.9300 -3.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 0.3907 -4.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -1.7475 -5.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -2.7238 -3.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8391 -0.9755 -2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 0.2211 -2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 -1.1552 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -2.0550 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 -1.3123 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 -1.8320 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 -4.1459 -0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0279 -4.9287 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 -3.2545 2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 -1.8915 2.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 -4.3460 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -2.7211 5.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -0.4065 4.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 -0.7072 3.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 -1.6257 3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6281 -0.1486 4.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 0.7922 5.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 0.8657 6.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 3.1029 5.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 2.5325 3.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 5.2314 3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 3.5246 4.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 4.6489 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5864 2.9332 2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 4.5959 1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1709 2.6675 -1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 2.6790 -2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2618 0.4496 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0548 0.4695 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2128 0.3764 -3.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0597 0.3164 -3.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 -1.6061 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0606 -1.8538 -3.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1986 -1.4787 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2354 -1.5918 -2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1074 -3.6951 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2522 -3.9627 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1063 -3.5521 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8643 -3.1403 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8703 -5.9446 -1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8988 -6.8572 0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9039 -5.4153 2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3767 -3.9185 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -4.3756 3.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9858 -5.3496 3.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 -7.2656 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7502 -6.6003 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -4.6364 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4569 -6.1795 0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 -4.9230 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -4.7598 3.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4932 -6.5412 3.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -7.2528 3.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 -7.1613 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5067 -8.1799 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -8.4411 2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2391 1.0961 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.9806 1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 2.6539 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1864 1.2729 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1446 4.0710 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1906 2.6154 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 4.0457 -1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 2.4345 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1596 4.6764 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 3.0318 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 3.7903 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 5.4121 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8462 3.9168 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 5.4236 1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2547 5.7298 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 6.6368 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 5.5928 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5004 4.0063 1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 5.5854 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.5883 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9194 2.2974 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 2.1316 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4165 1.0735 -2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7267 0.1805 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 1.8671 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5152 1.2823 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0889 -0.2525 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -0.2203 -2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -1.6022 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2361 -2.3152 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8849 -0.8854 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5444 -2.5408 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6285 -1.1159 0.9467 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 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 2 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 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 26 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 3 74 1 0 4 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 16 92 1 0 17 93 1 0 17 94 1 0 18 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 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