HMDB0271832 RDKit 3D PG(i-19:0/18:1(12Z)-O(9S,10R)) 136136 0 0 0 0 0 0 0 0999 V2000 0.8837 10.0369 2.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2704 9.1161 2.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 7.7401 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 6.9547 1.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 5.5451 1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0193 4.8405 2.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2719 3.7674 2.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5845 3.0299 2.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 3.0392 4.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5034 2.3569 4.3504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3556 1.8579 5.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8723 0.5150 4.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -0.5153 5.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -1.8655 5.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4368 -2.5436 4.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 -3.8680 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5681 -3.8339 3.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 -3.6367 1.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 -2.6330 0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 -1.9509 1.2444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -2.2974 -0.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4169 -1.3712 -1.1461 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7271 -1.9984 -2.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 -3.1589 -2.2546 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 -4.0158 -3.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -3.6827 -4.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -5.2003 -2.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 -6.4658 -2.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2098 -7.1917 -3.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9108 -6.6359 -3.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 -6.3741 -2.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 -5.9193 -3.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -4.6374 -4.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 -4.4598 -4.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 -3.2460 -5.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8599 -1.9267 -4.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -1.6822 -3.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5333 -0.3301 -2.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -0.0751 -1.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2153 1.2362 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 1.4472 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 0.5787 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 0.7053 1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 -0.8693 0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6631 -0.0832 -1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 0.7498 -2.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 2.2112 -2.6296 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4267 2.0521 -3.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 3.1393 -1.2564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9471 3.0860 -3.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 2.7458 -3.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 3.4841 -3.7404 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2344 3.1088 -5.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6387 3.0706 -3.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8445 1.7064 -3.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 9.6361 3.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 10.1669 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 11.0186 3.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7706 8.9378 3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 9.5258 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7423 7.7899 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8278 7.2583 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 6.8803 2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 7.4879 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 5.1092 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 5.6677 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 5.3120 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 3.3765 3.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 3.4022 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 1.9620 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3548 4.0766 4.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 1.9944 6.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7787 0.5975 4.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 0.1560 3.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 -0.1028 6.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1143 -0.4963 5.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 -2.4730 6.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 -1.7630 4.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -2.8509 4.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 -1.8795 3.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -4.5292 4.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 -4.3679 3.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -3.1889 3.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0982 -4.8743 3.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -3.6529 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 -4.6493 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 -1.0468 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 -1.2720 -3.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 -2.3276 -2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3944 -4.8831 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 -5.3510 -3.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 -7.1984 -2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -6.2869 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8043 -7.5508 -4.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -8.1999 -2.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -5.7199 -4.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4506 -7.3972 -4.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -5.6501 -2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 -7.3449 -2.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -6.6996 -3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -5.7849 -2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 -3.8167 -3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -4.6626 -5.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 -5.3427 -5.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5048 -4.6369 -3.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 -3.3290 -5.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3767 -3.2817 -6.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -1.1284 -5.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -1.7921 -4.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 -2.4348 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -1.7198 -3.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4854 -0.0980 -2.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 0.4064 -3.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4889 -0.9584 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 -0.0002 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0325 1.4161 -0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 2.0250 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8466 2.5129 -0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 1.4302 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 0.9955 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 1.7161 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0371 0.0270 2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 0.3223 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9945 -1.1169 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 -1.2332 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 -1.4880 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.2782 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 0.4446 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5366 4.0855 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 1.6511 -3.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 3.0411 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1317 4.5597 -3.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0889 2.6991 -5.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4055 3.5373 -3.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 3.3894 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1494 1.2876 -2.3940 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 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 1 0 19 20 2 0 19 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 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 41 42 1 0 42 43 1 0 42 44 1 0 22 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 11 9 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 43121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 49129 1 0 51130 1 0 51131 1 0 52132 1 6 53133 1 0 54134 1 0 54135 1 0 55136 1 0 M END