HMDB0049673 RDKit 3D TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 173172 0 0 0 0 0 0 0 0999 V2000 3.6880 -8.0705 2.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 -7.8935 0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -8.2614 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -7.4477 -0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9053 -6.0197 -1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 -5.8441 -2.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4153 -5.4493 -2.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -5.1230 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -3.7330 -2.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 -3.3389 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 -4.3363 -2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 -4.1962 -4.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2147 -3.8958 -4.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 -3.6898 -3.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2915 -4.5857 -3.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5194 -4.1765 -3.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0958 -2.8532 -3.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3387 -1.6399 -3.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2192 -0.6899 -2.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8991 -0.7502 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7923 -0.7557 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2511 -0.7877 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4824 -0.7211 1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 -0.8868 2.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6127 -0.9028 3.6657 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8660 0.0649 4.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9013 1.3557 4.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 2.3998 4.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 2.2942 5.7039 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 3.7727 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6682 3.5451 2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6044 2.6934 1.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 2.9498 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 4.2129 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 3.9245 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 4.2502 -2.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 4.8785 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 6.1981 -2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 6.5262 -3.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 5.5410 -3.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 5.1082 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 5.5143 -5.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4065 6.5875 -6.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2608 6.1399 -7.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 6.4340 -6.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 7.2584 -5.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 6.4969 -5.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0858 7.3602 -3.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8608 8.5478 -4.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4028 9.3401 -3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2718 -2.3261 4.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0072 -2.6661 3.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 -3.8823 3.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0603 -4.6279 4.6696 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1832 -4.3202 3.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2755 -3.2725 2.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 -2.4435 3.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -1.6901 4.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -0.8719 5.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 0.2265 5.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0851 0.9987 6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8133 2.1441 5.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9054 2.0114 4.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6222 1.3298 3.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 0.3366 2.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 -0.2590 3.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 -1.7355 3.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -2.0928 4.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -3.6042 4.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3568 -4.1477 5.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -3.4647 6.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -7.2363 2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 -8.0575 2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 -9.0326 2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -6.8688 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 -8.5614 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 -9.3240 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1476 -7.8740 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 -5.6507 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9124 -5.4607 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3484 -6.0587 -3.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2602 -5.3495 -3.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -5.9018 -2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6128 -5.1572 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 -2.9773 -2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -2.2770 -2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0784 -4.1303 -1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0402 -5.3960 -2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -4.3510 -4.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5786 -3.7981 -5.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 -3.9322 -2.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3386 -2.6214 -3.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0654 -5.6762 -3.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2804 -5.0402 -3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 -2.8692 -4.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8949 -2.8054 -2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8034 -1.4356 -4.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5909 0.1989 -2.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6206 -1.5372 -0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4669 0.2336 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.2371 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -1.5500 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -0.8194 3.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4567 0.0890 5.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8643 -0.2193 4.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 4.2472 3.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0463 4.3687 4.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6558 3.0303 2.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 4.5109 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 1.6880 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 2.1847 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8429 4.7151 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1116 4.9595 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 3.4471 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3214 4.0077 -3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 4.1992 -2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 4.9144 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 7.0021 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 7.5794 -3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 4.6853 -2.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 6.0860 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 4.2047 -4.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7578 4.9343 -6.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 7.3324 -5.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 7.2043 -7.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 5.5055 -8.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7533 6.0173 -7.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 7.6738 -5.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 8.1752 -6.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 5.9946 -5.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 5.7141 -4.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7706 6.7869 -3.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 7.7165 -3.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 9.1930 -5.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7465 8.1728 -5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3066 8.7031 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4464 9.6332 -3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 10.2234 -3.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0598 -3.0462 3.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 -2.3321 5.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 -5.0382 2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6251 -4.9665 3.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5114 -3.7767 2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -2.5894 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 -1.6465 3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 -3.0989 4.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 -2.3588 5.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9567 -0.9602 4.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -1.6307 6.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1389 -0.4556 6.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -0.1363 4.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 0.9613 4.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3527 1.3332 6.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 0.2539 6.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 2.8615 4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.7272 6.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 1.6238 5.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2793 3.0719 4.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7522 1.6494 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 -0.1185 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4461 -0.0730 2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7927 0.1509 4.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3256 -2.0598 4.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3906 -2.2306 2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3135 -1.8462 3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -1.5576 5.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 -4.0292 3.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2441 -3.7921 5.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2486 -3.9766 4.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -5.2468 5.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3218 -3.9064 7.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 -3.5673 7.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6905 -2.3832 6.5327 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 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 2 0 28 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 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 6 26104 1 0 26105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 70170 1 0 71171 1 0 71172 1 0 71173 1 0 M END