HMDB0052398 RDKit 3D TG(18:2(9Z,12Z)/14:0/20:2n6) 159158 0 0 0 0 0 0 0 0999 V2000 4.6590 -6.8152 -7.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 -6.1494 -6.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -7.2132 -6.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 -6.6462 -6.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 -6.0370 -5.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5271 -5.5323 -5.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -5.9066 -4.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 -6.8639 -3.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 -7.6670 -2.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -7.6189 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 -6.6825 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -5.7292 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 -5.0054 -1.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 -3.9599 -1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 -3.3561 -2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -2.2155 -2.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7518 -0.8842 -2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2327 -0.6694 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 0.8239 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 1.1688 0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 0.3893 1.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 2.3359 1.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 2.8718 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 2.0383 2.8220 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1997 1.8540 1.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3717 1.4025 2.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5353 1.2567 1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 1.5175 0.4837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7915 0.8609 2.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3848 -0.3872 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7584 -1.5641 1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1011 -2.6129 1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 -2.6717 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -2.0328 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 -2.3081 -1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 -1.6947 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -0.8216 -1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -0.3073 -3.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 1.1641 -2.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6993 2.0244 -3.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0827 1.6130 -4.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 2.1889 -4.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 1.8405 -5.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8188 2.4537 -5.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8144 2.0913 -6.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 2.9224 3.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 2.7901 5.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6879 1.8356 5.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 3.5829 6.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 4.6803 6.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 5.8806 6.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3187 5.6962 4.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 6.9920 4.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 7.4900 3.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 6.4869 2.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 6.9045 2.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8309 7.1097 3.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1779 7.4767 2.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1956 7.6873 3.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5503 8.0260 3.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5526 8.2280 4.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5418 -7.9158 -7.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4445 -6.4591 -6.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8798 -6.6409 -8.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 -5.7399 -5.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1234 -5.3035 -7.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 -8.0729 -6.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 -7.5810 -8.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0982 -7.3593 -6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 -5.8164 -7.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -5.1580 -5.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1728 -6.7577 -4.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 -4.7401 -5.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4012 -5.3464 -4.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 -7.5989 -3.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 -6.3508 -2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -8.4407 -3.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 -8.2908 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -7.2467 0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 -5.9931 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -6.3674 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9722 -5.0461 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 -4.4472 -2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 -5.7063 -2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 -3.3494 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 -4.5808 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6774 -4.2242 -3.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 -3.0696 -3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 -2.1131 -3.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -2.5317 -1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6197 -0.1276 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -0.4432 -2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -0.9564 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3232 -1.2521 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 1.3299 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3141 1.1303 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8022 3.1611 2.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 3.8365 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4817 1.1921 3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 2.8661 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9288 1.1443 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6319 1.3931 1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9717 1.6230 3.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4202 -0.0602 3.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -0.7546 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 -1.1847 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5543 -2.1659 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8859 -3.4988 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4871 -3.1897 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0605 -3.7579 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7615 -2.2529 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 -2.5095 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -0.9696 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7159 -2.1006 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 -3.4332 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.0039 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -0.4115 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6232 -0.6563 -4.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -0.6514 -3.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.5109 -2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 3.1046 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 2.1425 -5.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 0.5685 -5.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 1.8365 -3.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 3.2919 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 2.2622 -6.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 0.7507 -5.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 3.5488 -5.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0867 2.0543 -4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5385 1.3467 -6.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3535 3.0047 -6.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 1.5846 -7.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 2.8069 7.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6142 3.9482 6.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 4.3353 7.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 5.0415 7.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8671 6.7282 6.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 6.3149 5.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 5.4207 5.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 4.9346 4.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 7.7700 4.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 6.7983 3.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 7.7351 4.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 8.3904 2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 5.5111 3.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 6.2730 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 6.1003 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 7.8792 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 8.0125 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 6.2086 3.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0598 8.4018 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 6.6403 1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 8.5411 4.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3281 6.7723 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4426 8.9697 2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8889 7.1900 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 8.9987 4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5212 8.5915 3.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7270 7.2606 4.7454 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 1 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 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 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 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 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 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 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 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END