HMDB0013512 RDKit 3D PGP(18:0/20:4(5Z,8Z,11Z,14Z)) 139138 0 0 0 0 0 0 0 0999 V2000 3.0181 -11.0214 1.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 -10.0161 0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8165 -8.9889 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -7.9877 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 -6.8918 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 -5.9983 -1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6084 -4.7257 -1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -4.0871 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 -3.1329 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 -1.8966 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9486 -1.1717 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 -0.2336 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 1.0456 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.7180 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8973 2.6369 1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 3.9411 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 4.6106 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 5.4512 1.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 6.0334 1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 4.9421 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3287 4.1318 -0.0847 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 4.8684 1.7231 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4836 3.9982 1.7800 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7598 4.6727 1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 4.9785 -0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5023 5.5904 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5879 5.9244 -0.3841 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1053 5.7855 -2.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 5.6208 -2.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 5.7015 -3.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 5.5733 -4.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 5.4955 -5.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 4.2227 -6.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 3.6559 -6.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 2.3646 -7.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2699 1.7192 -7.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8496 1.3048 -6.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9587 0.3077 -5.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5468 -0.0781 -3.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 -1.0912 -3.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3978 -1.3562 -1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7467 -2.3180 -1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 -3.7068 -1.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8876 -4.5679 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 3.2341 3.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 2.4488 3.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 1.5838 4.7284 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1044 0.1751 4.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 2.3353 5.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 1.5148 5.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3551 0.9634 6.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.9133 7.5847 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8083 0.3509 8.8579 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 0.1675 6.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -1.1766 6.7153 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1001 -1.8668 5.9021 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9841 -2.6116 6.8556 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -0.6912 5.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -2.9679 4.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -10.4549 2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6713 -11.7993 2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -11.4588 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 -9.5603 1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3332 -10.5367 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 -9.5738 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -8.4950 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 -8.5118 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3318 -7.5176 0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 -6.4710 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 -7.5126 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 -6.3869 -2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 -4.0979 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 -4.7829 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -3.5145 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 -3.5284 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 -1.2252 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 -0.7110 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7212 -1.7478 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 -0.6635 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 1.7152 -1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 2.1837 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6176 1.0315 1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 2.2204 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 4.5927 1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0172 5.4008 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 3.9273 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 6.3193 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 4.8873 2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 6.5240 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1803 6.8201 1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2993 3.2289 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 5.6225 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 4.0661 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3342 6.8327 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 5.1133 -2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 6.4814 -1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 4.6904 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9227 5.1226 -4.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 6.7976 -4.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 6.3975 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4438 4.6558 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7252 5.7617 -5.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 6.3349 -6.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 4.3026 -7.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 3.3932 -5.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2929 3.2926 -5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 4.3445 -6.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 2.7080 -8.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 1.7142 -6.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 0.8576 -8.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9623 2.4328 -7.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8446 0.8287 -6.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 2.1801 -5.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 0.6756 -5.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9688 -0.6154 -5.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5332 -0.5853 -4.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6658 0.7679 -3.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6021 -2.0220 -3.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 -0.6907 -3.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4312 -1.6644 -2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 -0.3774 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 -2.4081 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 -1.9150 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 -4.2124 -1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -3.6910 -2.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8965 -4.1734 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 -4.5594 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -5.6161 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 2.6132 2.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 3.8724 3.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 1.6953 6.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 -0.0359 6.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.6474 7.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 1.9435 7.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 -0.3160 9.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 0.2641 7.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 0.6669 5.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -1.0654 4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -3.2490 4.1542 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 43 44 1 0 23 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 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 6 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 51132 1 0 51133 1 0 52134 1 1 53135 1 0 54136 1 0 54137 1 0 58138 1 0 59139 1 0 M END