HMDB0265463 RDKit 3D PA(21:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 133132 0 0 0 0 0 0 0 0999 V2000 -17.1942 -1.4820 1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5577 -0.4872 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2563 -1.0434 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5210 -2.2459 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5916 -2.9998 -2.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3604 -3.6520 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1091 -2.9771 -1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0981 -2.0147 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6705 -1.4883 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8698 -0.5150 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6418 0.1501 1.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9867 0.9270 0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7623 1.6535 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6659 0.8260 1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0663 -0.1901 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4593 0.4190 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3952 1.4146 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2602 0.8230 0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 -0.2791 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -0.7468 0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4965 0.4475 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 0.5727 1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 1.4615 0.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 2.6165 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 2.4684 0.1033 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3414 3.9055 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 4.5100 1.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2851 6.1055 1.4176 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7621 6.5868 2.7589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 7.0859 0.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9731 6.0880 1.4445 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 1.7687 -0.9976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.7717 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 0.5654 0.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8439 0.0144 -1.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -0.3390 -1.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 0.8331 -1.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 1.8429 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8111 2.1661 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1177 1.6755 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 0.5898 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9062 0.6587 -0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 1.8962 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9798 2.0700 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6863 1.2400 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3099 -0.0674 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1662 -0.8377 1.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7458 -2.1712 1.8220 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8098 -2.7338 0.9477 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8936 -3.1276 1.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6492 -3.3671 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3063 -2.1698 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0867 -2.6031 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1484 -3.6090 -0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7228 -2.2479 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9280 -0.9013 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4401 -1.8563 1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2398 0.3933 0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1977 -0.1614 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6138 -1.2886 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7828 -0.1973 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0116 -3.0181 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4900 -2.0245 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4022 -2.3953 -3.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2383 -3.8513 -2.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6036 -4.2885 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1321 -4.5467 -2.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2847 -3.7662 -1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7687 -2.4683 -2.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5030 -2.3789 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5744 -1.0572 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2773 -1.0547 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0118 -2.3262 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5369 0.2970 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4301 -1.0664 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9475 0.8843 2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9329 -0.5401 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7183 1.6748 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8005 0.2469 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0730 2.4021 1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4156 2.2631 0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8566 1.4798 1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0561 0.2868 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2663 -0.7150 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7956 -0.9498 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1910 0.8809 -1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -0.4257 -1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 1.7428 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 2.3468 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 0.4400 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5645 1.6319 0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 0.0776 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 -1.1449 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8331 -1.5837 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -1.0285 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 3.2994 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0136 3.2589 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 2.0261 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 3.8587 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 4.4577 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7651 7.0024 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 6.0336 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 0.5382 -2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -0.9647 -1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 -0.8813 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -1.0932 -2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2283 0.4251 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 1.3588 -2.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0253 2.4078 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3775 3.0012 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7954 2.5669 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0722 1.3105 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3355 -0.4463 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2552 -0.2562 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8122 2.0775 -2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9995 2.8103 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4495 3.0951 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7089 1.5681 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3787 -0.5345 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1411 -0.4583 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2507 -2.1402 2.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 -2.7638 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5264 -4.1427 2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5895 -2.8139 2.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9506 -3.7708 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3957 -4.1981 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5389 -1.4546 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9643 -1.6482 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3654 -3.1075 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4817 -1.7063 -1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0942 -3.2353 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2903 -3.6222 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8915 -4.6298 -1.2498 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 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 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 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 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 31102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 1 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 54133 1 0 M END