HMDB0267623 RDKit 3D PA(i-15:0/20:3(5Z,11Z,14Z)-O(8,9)) 115115 0 0 0 0 0 0 0 0999 V2000 -11.3527 3.8061 -2.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1713 3.0051 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2465 2.1066 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0575 1.2814 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0817 0.3700 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8696 -0.4243 2.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8959 -1.7339 2.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1575 -2.5893 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2179 -3.5002 1.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9392 -3.4988 1.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2612 -2.6105 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4919 -3.3594 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4621 -4.1985 -0.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1167 -3.0243 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3801 -1.9235 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 -1.7002 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9445 -1.8261 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9893 -2.1892 1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -1.2340 2.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -0.6623 2.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 0.2807 1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1489 0.6589 0.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 0.7871 1.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1339 1.6731 -0.0238 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0997 1.1861 -1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 1.0948 -0.4343 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5025 0.7094 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 0.4255 -2.3319 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 0.6492 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 2.1246 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 2.6544 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5175 2.0241 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9091 2.2097 -2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5115 1.8065 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5262 0.3694 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2467 -0.4867 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2832 -1.9493 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9785 -2.2255 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3987 -1.7522 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2229 -2.3949 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2285 -3.8896 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6313 -1.8337 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 3.0851 0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7553 2.9876 1.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2881 4.4889 1.6468 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0326 5.1760 0.5461 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3578 4.2041 2.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0051 5.4128 2.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0109 4.7250 -1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0639 4.0414 -3.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5290 3.1944 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6262 3.7047 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9039 2.3990 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8027 1.3803 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4076 2.6085 -0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5231 1.9641 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7315 0.6160 -0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4190 1.1199 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4652 -0.1981 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4786 0.0829 2.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5038 -2.2873 2.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7876 -2.1238 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9676 -3.3112 0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6142 -4.2273 2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2533 -4.1947 2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5308 -2.0049 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8771 -1.8398 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1409 -3.7738 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7434 -3.2455 -1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9383 -0.9755 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5215 -1.9458 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -1.4149 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 -1.6724 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 -3.0591 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9707 -2.6176 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -1.8190 3.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -0.4354 2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 -0.1117 3.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 -1.4883 2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 1.7945 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 1.9681 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8021 0.2638 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5185 0.0340 -0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 0.3076 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 2.6590 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0568 2.2217 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 2.4887 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 3.7910 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4089 2.4451 -3.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 0.9503 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5975 1.8649 -2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 3.3496 -2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 2.4211 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 2.0529 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6021 -0.0622 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2271 0.3221 0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 -0.4136 -2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2576 -0.0975 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2209 -2.3015 -1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7707 -2.4902 -1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0253 -3.3532 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4209 -1.8983 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3929 -0.6371 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8191 -1.9415 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7666 -2.2128 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 -4.0566 0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3364 -4.3059 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1785 -4.3091 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9811 -1.8464 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5666 -0.7795 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2491 -2.4625 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 3.7305 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 3.4520 1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 3.5165 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 5.1157 3.0869 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 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 2 0 27 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 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 14 12 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 6 25 81 1 0 25 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 47114 1 0 48115 1 0 M END