HMDB0047962 RDKit 3D TG(14:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) 153152 0 0 0 0 0 0 0 0999 V2000 0.0132 4.3839 7.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 4.0433 6.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 3.9461 6.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 3.6106 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3897 3.5779 5.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1424 2.5533 5.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 1.2074 4.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6381 0.9768 3.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 -0.3190 2.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 -1.0015 2.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -0.3773 1.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -1.4995 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9889 -1.2201 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 -0.1946 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 0.1879 0.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3834 0.4106 -1.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6116 1.3079 -1.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0006 0.8615 -1.5585 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5666 -0.0234 -2.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 0.1897 -3.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 0.1327 -4.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -0.1931 -4.2048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 0.3980 -6.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 0.4275 -6.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 0.5883 -8.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7544 0.6564 -8.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -0.5095 -8.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -1.8609 -8.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 -2.9111 -7.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 -4.2722 -8.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2151 -5.2232 -7.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 -5.0483 -6.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 -5.9646 -5.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3143 -6.8807 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -7.0323 -4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2107 -6.7876 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 -7.6188 -1.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -7.6559 -1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 -6.2808 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 0.3145 -0.2859 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3061 0.7957 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 1.8469 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 0.2290 1.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2885 -1.1998 2.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5961 -1.8657 3.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0503 -1.4451 4.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -1.4966 4.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 -0.5865 4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 0.8975 4.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0494 1.6362 3.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 2.6773 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 3.1757 2.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 4.6126 3.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 5.6670 2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 5.6949 1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 6.9372 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 7.2093 -0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 7.3648 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 8.4098 0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3998 3.4401 8.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 5.0646 7.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 4.8776 8.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5035 4.8760 5.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 3.1359 5.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 3.1108 7.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 4.9251 6.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7211 4.4895 4.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 2.6956 4.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7964 4.5307 5.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 2.6999 5.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0147 0.4197 5.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 1.1901 4.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7098 1.1958 3.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4079 1.8509 2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4963 -0.4257 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 -1.0700 3.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 -1.9982 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6879 -1.3399 3.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 0.4698 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -0.0979 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 -2.4308 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1497 -1.8099 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7284 -0.8890 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -2.1579 -0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 2.1915 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4539 1.8812 -2.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 1.7976 -1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 -1.0848 -2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 0.0060 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 -0.4587 -6.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.3126 -6.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6006 -0.5973 -6.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 1.1183 -6.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 1.5530 -8.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 -0.1982 -8.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 1.5654 -8.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7504 0.7873 -9.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 -0.3161 -8.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -0.4904 -7.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 -1.9730 -9.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 -2.0923 -8.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 -2.6676 -6.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 -2.7292 -8.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7613 -4.5406 -9.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9854 -6.2126 -7.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9515 -4.9841 -5.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 -4.0079 -5.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 -5.9217 -5.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -7.5261 -3.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 -8.1633 -4.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3349 -6.5300 -5.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -5.6760 -2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 -6.8884 -3.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1901 -8.6826 -2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 -7.3052 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 -8.2175 -0.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -8.2578 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 -5.4891 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4127 -6.1580 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 -6.1147 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 0.9032 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 0.2165 1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2847 -1.4377 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 -1.7398 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7176 -2.0051 3.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2552 -2.9579 3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4956 -2.1456 5.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4138 -0.4443 4.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 -2.5438 4.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -1.3499 5.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -0.6181 2.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -0.8690 4.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 1.1159 4.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 0.8982 5.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1217 1.3199 3.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5327 3.0860 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 3.0540 1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 2.6453 3.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2819 4.8279 4.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 4.8709 3.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 5.7292 1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 6.6570 2.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 5.6126 2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 4.8103 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 6.8927 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 7.7843 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 6.3532 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 8.1231 -0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 6.4644 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 7.8009 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 9.3494 0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 8.6805 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 8.0588 1.3631 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 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 18 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 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 2 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 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 17 85 1 0 17 86 1 0 18 87 1 1 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 39120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 51136 1 0 52137 1 0 52138 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 59153 1 0 M END