HMDB0043808 RDKit 3D TG(15:0/O-18:0/16:1(9Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -3.3310 -2.4706 -2.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 -1.4633 -1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 -0.2233 -1.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4803 -0.4114 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7843 -1.0751 1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 -0.5194 1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1827 -0.4403 1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1631 -1.0911 2.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0421 -1.9447 3.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5006 -3.3503 2.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3842 -4.1989 4.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -5.6358 3.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8923 -6.2106 2.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 -6.1894 3.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5769 -6.7423 2.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -6.7177 2.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6891 -7.6341 3.2788 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 -5.6682 2.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0368 -5.5815 2.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 -4.3412 2.1001 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3538 -3.9138 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -4.4907 -0.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -4.0564 -1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2848 -3.2262 -1.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 -4.3634 -2.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -4.8696 -3.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -5.0302 -4.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -3.8373 -5.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 -2.8369 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 -1.6704 -6.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 -0.7516 -6.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 -0.2724 -5.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 0.6281 -5.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 1.8487 -6.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 2.7930 -6.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 3.2303 -5.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 4.1760 -5.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 4.5950 -4.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 -4.2763 2.5379 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -3.2170 3.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3868 -1.9048 2.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 -2.1052 1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -1.1143 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 0.3025 1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 1.0023 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 2.4069 -0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0518 3.4972 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 3.5799 1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 3.7273 2.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 4.9686 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0393 6.2353 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 6.6220 3.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 6.8263 4.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7392 7.2414 5.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2659 8.5123 4.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 9.6522 4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 10.9161 3.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 -2.0449 -2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -3.0086 -3.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0076 -3.2659 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -1.1483 -2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 -1.9888 -0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9592 0.1355 -2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2507 0.5844 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6611 -1.0036 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 0.6047 -0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 -1.0699 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9145 -2.1826 0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 -0.9621 2.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 0.5697 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5195 0.1457 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1777 -0.9728 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1256 -1.9111 3.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8483 -1.5811 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9055 -3.7759 2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5418 -3.2743 2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1672 -3.8215 4.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 -4.1530 4.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6147 -6.2197 4.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8221 -5.6816 3.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0803 -5.7595 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -7.2873 2.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1189 -5.1808 3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 -6.9232 4.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -7.7969 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 -6.1676 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -6.4599 2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 -5.5593 3.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -3.4887 2.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 -2.8196 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 -4.0618 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6077 -5.2730 -3.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 -3.6156 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3532 -4.2216 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -5.8621 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1578 -5.6147 -4.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 -5.7478 -4.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 -4.2365 -6.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4407 -3.3806 -4.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 -2.2753 -4.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -3.1559 -5.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.0770 -5.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 -2.0055 -7.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 0.0982 -7.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -1.2869 -7.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 0.2521 -4.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 -1.1926 -4.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 0.0197 -6.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4787 0.8732 -4.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 1.5803 -7.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 2.3615 -5.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5368 2.3242 -7.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 3.6946 -7.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 3.7557 -4.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 2.3265 -4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 3.6991 -6.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 5.0739 -6.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 3.6536 -3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 4.9534 -4.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7529 5.3561 -3.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -3.3881 3.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5659 -3.0775 4.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -1.5609 2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -1.1181 3.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 -3.0683 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -2.4761 2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8127 -1.4457 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1346 -1.0036 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 0.7150 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0083 0.1808 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 0.8149 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5889 0.4121 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 2.6145 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8735 2.5348 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5557 4.5064 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 3.3765 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 2.6926 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 4.5018 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1453 3.6579 3.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 2.8665 2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 5.0572 3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6363 4.7868 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 6.2267 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 7.1151 2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 7.6323 2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 5.9742 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 7.6068 4.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 5.9327 5.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 7.3236 6.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 6.4267 4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8828 8.4100 3.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 8.8191 5.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 9.4825 4.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 9.8885 5.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 11.5562 3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 11.5326 4.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1223 10.6766 3.0417 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 20 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 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 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 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 19 87 1 0 19 88 1 0 20 89 1 1 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 38120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 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 57157 1 0 M END