HMDB0112290 RDKit 3D PS(18:1(11Z)/18:1(9Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -1.5421 -10.5308 -4.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 -10.6322 -4.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 -9.2296 -4.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0393 -9.3155 -4.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8339 -8.1415 -3.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6469 -7.4151 -2.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 -6.7397 -2.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -5.4132 -2.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4681 -4.5045 -2.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3265 -3.4214 -3.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0607 -2.6586 -2.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9045 -1.5641 -3.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 -0.7757 -3.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 -0.1395 -2.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6241 0.8481 -2.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 2.0447 -2.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8005 2.9550 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 3.3510 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2526 3.7038 -0.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0663 3.3087 -0.6969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 3.6295 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 3.4743 0.5994 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4653 4.5944 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 5.7937 0.3811 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3145 7.1206 -0.4303 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3819 7.9416 -1.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 6.6109 -1.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 8.1691 0.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2919 7.3924 1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 8.3057 2.4307 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8569 7.4933 3.3303 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 9.1568 3.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 9.1087 4.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 10.0191 2.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 2.1864 0.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 1.2284 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 1.4884 2.1269 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 -0.1171 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -0.2609 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 0.6789 -1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 0.4325 -1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 0.5553 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8165 0.3177 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 0.3929 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 1.6941 0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 1.8449 1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 0.7207 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1326 0.7482 3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 1.9448 4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 1.8522 4.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2367 3.0055 5.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 2.8648 6.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7043 1.6044 7.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2838 1.5186 7.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -10.8090 -5.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 -9.5266 -4.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -11.2554 -4.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5582 -10.8058 -5.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 -11.3758 -4.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -9.0593 -3.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -8.5104 -5.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4008 -9.7232 -5.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2915 -10.2032 -3.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9458 -8.4372 -3.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7688 -7.3835 -4.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5659 -6.8340 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6875 -8.2599 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 -7.2618 -2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 -5.0095 -1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4059 -3.8918 -1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4606 -4.9284 -2.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -3.8586 -4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 -2.7406 -3.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1655 -2.2526 -1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 -3.3275 -3.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -0.9165 -4.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7911 -2.0575 -4.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -1.3877 -3.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 0.0301 -4.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4803 -0.9510 -1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 0.3644 -2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 1.1575 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6274 0.3291 -2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 2.6594 -2.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9364 1.8230 -4.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 3.8714 -3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7621 2.4211 -2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 2.9875 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 4.6796 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 3.6353 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 4.6115 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8407 4.5234 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5425 7.2941 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 6.7134 2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 6.8290 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 8.9330 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 6.7456 2.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 7.0782 4.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 10.0724 2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 -0.3990 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1448 -0.8311 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 -1.3005 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 -0.1481 0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 0.6585 -2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 1.7156 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 -0.5598 -2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 1.2055 -2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 1.5479 -0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 -0.1919 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 1.0453 -2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8242 -0.7124 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8711 0.3823 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 -0.4999 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 2.5794 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7144 2.8958 2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2142 0.8716 3.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7279 -0.2765 2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -0.1679 3.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 0.7113 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 1.9133 5.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 2.9024 3.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8251 1.8861 3.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4395 0.8567 5.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 3.9387 5.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9969 3.1252 6.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.8334 5.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 3.7511 6.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 0.6959 6.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 1.5547 7.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2847 1.7924 8.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1219 0.4940 7.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 2.2234 7.0445 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 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 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 21 89 1 0 22 90 1 1 23 91 1 0 23 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 30 96 1 6 31 97 1 0 31 98 1 0 34 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M END