HMDB0047820 RDKit 3D TG(14:1(9Z)/20:0/20:1(11Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -6.8672 -2.9149 1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7173 -2.8191 2.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2642 -4.1487 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0781 -4.1467 4.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6736 -5.5285 5.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5918 -5.8983 5.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5464 -4.9969 6.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 -5.3934 5.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 -4.5381 6.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 -4.9359 5.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -4.6994 4.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -5.2225 3.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 -4.9273 2.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 -3.5098 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1846 -3.0204 1.7365 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -2.6155 1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 -1.2906 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 -0.2963 2.0068 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0106 -0.3800 3.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.1278 3.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2624 -0.0866 4.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 -0.2950 5.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6888 0.1884 4.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2245 0.1251 2.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 -1.2201 1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 -1.2108 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 -0.3659 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 -0.3158 -1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7827 0.4333 -2.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 1.8111 -2.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 2.9235 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 2.7929 -1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0387 3.6649 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 4.8359 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 6.0915 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7968 6.1129 1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6321 7.4036 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3675 7.3740 2.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2151 8.6251 2.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9645 8.6572 4.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0135 8.6299 5.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 -0.4783 2.1708 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 0.6104 1.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 1.6978 1.6321 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3861 0.6961 2.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 -0.4964 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 -1.3341 0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 -0.8130 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 0.2648 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5913 -0.1504 -1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 0.9645 -2.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 0.6172 -2.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 -0.5142 -3.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 -0.2810 -4.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -1.4670 -5.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 -1.3541 -7.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8235 -1.1579 -7.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0626 -8.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5961 -0.8781 -9.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0813 0.3776 -8.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5761 0.6004 -8.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9594 1.8760 -7.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7175 1.7687 -6.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8944 -1.8844 0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0597 -3.4701 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8215 -3.3941 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7572 -2.6061 3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0428 -2.0125 3.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0566 -4.9329 3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -4.5077 2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0991 -3.9254 5.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 -3.3622 5.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4061 -6.3029 4.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4826 -7.0000 5.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 -5.1402 7.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 -3.9388 5.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 -6.4406 5.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 -5.2764 4.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 -4.5900 7.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -3.4773 5.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -6.0544 5.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1002 -4.5109 6.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 -5.2119 3.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3516 -3.6237 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5511 -4.9263 4.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 -6.3449 3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 -5.4437 1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7957 -5.4526 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 -0.9877 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 -1.1423 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 0.7362 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -1.3918 3.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4986 0.4093 3.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2322 -0.5825 4.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9721 1.1571 4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 0.3595 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 0.9584 2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 -1.6178 2.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -1.9404 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7587 -0.7880 0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -2.2184 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 0.5977 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 -0.8545 -0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6504 -0.1714 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4835 -1.4183 -2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8371 -0.1727 -2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3425 0.3595 -3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5724 1.9461 -1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 2.0635 -3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 3.8645 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 2.9302 -3.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 1.9677 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6434 3.5350 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 4.9875 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 4.8243 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7538 6.0487 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 7.0000 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1618 6.1355 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 5.2999 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9048 8.2475 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3561 7.4064 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6818 7.2242 3.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0598 6.4965 2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5043 9.4834 2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9329 8.6436 1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4933 9.6355 4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7076 7.8615 4.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3188 9.3999 5.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9739 8.8072 4.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0745 7.6252 5.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 1.5601 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 1.1212 3.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2769 -0.1979 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -1.1639 2.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8619 -2.2685 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 -1.6781 0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8119 -0.4482 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8997 -1.7078 -1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5118 0.3404 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 1.2201 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -0.5280 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6932 -0.9902 -2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 1.4033 -3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 1.7914 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 0.5162 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 1.5360 -3.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -0.6145 -3.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -1.4958 -3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 -0.0225 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 0.5906 -5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -1.7432 -5.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -2.3445 -5.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 -0.5500 -7.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 -2.2951 -7.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3348 -2.0604 -6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 -0.2168 -6.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 -0.2757 -9.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8352 -2.0217 -9.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7235 -0.8646 -10.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1484 -1.7235 -8.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0261 0.3127 -7.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 1.2940 -8.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1058 -0.2718 -8.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7282 0.7579 -9.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0033 2.1813 -8.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3228 2.6900 -8.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 0.7935 -6.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 2.5345 -5.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6533 1.9223 -6.2001 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 18 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 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 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 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 17 89 1 0 17 90 1 0 18 91 1 6 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 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 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 41130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END