HMDB0049157 RDKit 3D TG(18:1(11Z)/20:0/18:1(9Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -5.2187 0.2640 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6426 -1.1776 -2.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 -2.1258 -3.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3787 -3.5769 -3.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1693 -4.1509 -3.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8358 -3.8681 -3.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -4.5380 -3.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 -3.8760 -4.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -2.4178 -4.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7187 -2.1370 -3.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -0.6466 -3.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.4450 -3.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 -1.0102 -2.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -0.5778 -0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.6520 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 -0.3799 1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3546 0.8476 1.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7725 1.2373 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 1.9838 1.1372 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 0.8216 3.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8778 1.0768 3.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 0.1278 2.2354 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9875 -1.1899 2.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 -2.1512 1.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 -3.3549 1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -3.4982 3.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 -4.4266 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 -5.6652 1.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0819 -6.6899 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -6.2450 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 -6.2107 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 -5.5169 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -5.5459 2.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 -4.9732 3.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -3.9572 4.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -3.1361 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 -1.7245 3.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 -0.6740 2.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 -0.7682 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 0.4499 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3617 0.5789 1.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 1.8241 1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3786 2.0379 2.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2446 0.6313 1.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 1.1719 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4212 1.1918 0.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9197 1.7294 -1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5505 3.1626 -1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1492 3.7787 -2.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6837 5.2294 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2079 5.9214 -3.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6924 7.3266 -3.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 7.1824 -2.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 8.4857 -1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 8.4972 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 8.0285 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 6.5993 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 6.2154 2.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 6.4053 2.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4164 6.0218 4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0409 4.6078 4.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 4.3470 5.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 2.9849 6.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 1.8646 5.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 0.5185 6.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3069 0.5072 -3.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2221 0.2095 -2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5549 0.9807 -2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7691 -1.1579 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3385 -1.4229 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -1.8164 -4.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5937 -1.9545 -2.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 -3.9145 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2679 -4.0665 -3.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 -3.8543 -4.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 -5.2751 -3.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -2.8890 -2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 -4.5148 -2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -5.6296 -4.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -4.4246 -5.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 -2.0231 -5.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3822 -1.8758 -3.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 -2.6701 -2.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 -2.5180 -4.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 -0.1247 -3.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 -0.2343 -4.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6635 0.6613 -3.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -0.9188 -4.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 -2.1400 -2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -0.9474 -2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 0.5595 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -0.9716 -0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 -1.7004 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 0.0092 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 -0.5316 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 -1.2444 1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 0.7730 2.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 1.7497 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1798 2.0744 2.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 0.8532 4.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6801 0.1803 2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6226 -1.6459 3.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 -1.0460 3.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0657 -4.6421 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 -4.1219 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 -5.4590 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 -6.1337 2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -7.5838 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -6.9800 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0541 -5.3183 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -7.0309 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -5.8914 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 -7.3037 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 -4.5061 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 -6.0803 2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -4.9244 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 -6.5901 2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 -5.5239 4.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -3.6283 5.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8021 -3.4926 2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 -3.1544 4.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 -1.4785 4.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9822 -1.6990 3.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2835 0.2975 3.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 -0.4589 3.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4258 -0.8249 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 -1.6807 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 1.3426 1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3862 0.2685 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1895 0.7802 3.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9862 -0.3115 1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3327 1.6435 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 2.6862 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1741 2.3250 3.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9245 2.8536 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9923 1.1269 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8399 1.6520 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 1.1093 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 3.7446 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 3.4543 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9718 3.7659 -3.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2721 3.2722 -2.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 5.1556 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 5.7411 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 5.3275 -3.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 6.0125 -4.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4603 7.9632 -2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 7.7767 -4.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 6.8342 -1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 6.4598 -2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 9.1925 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 8.9424 -2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 7.9984 -1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 9.5793 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 8.3118 0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 8.6164 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 5.9486 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 6.2855 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 6.8370 2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1801 5.1305 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 5.8198 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 7.4582 2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 6.7008 4.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4734 6.0767 4.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 4.3973 4.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 3.8657 3.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 4.4613 6.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 5.1063 6.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4142 2.8470 7.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 2.8806 6.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 1.9416 4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3523 1.8566 6.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 0.1889 5.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 0.6269 7.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -0.2206 6.1558 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 1 0 7 8 2 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 1 0 33 34 1 0 34 35 2 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 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 0 21100 1 0 22101 1 1 23102 1 0 23103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 43136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 65175 1 0 M END