HMDB0284546 RDKit 3D PE(24:1(15Z)/20:3(5Z,11Z,14Z)-O(8,9)) 148148 0 0 0 0 0 0 0 0999 V2000 11.6224 4.7400 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 5.1697 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 5.7789 2.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1718 5.0267 2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0154 3.7383 3.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8634 2.6250 2.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3813 1.5117 2.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 1.2767 2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7133 0.9676 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 -0.1548 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -1.2635 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4987 -2.5144 0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.5862 1.5587 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 -3.7368 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5177 -3.6294 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0511 -4.9800 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -5.5483 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9374 -4.8720 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 -4.7636 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 -4.0108 0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 -2.6375 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 -2.3942 1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9991 -1.6504 -0.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4783 -0.3352 0.0553 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3388 0.6583 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 0.5762 -1.4518 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1665 1.2128 -1.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 1.9190 -1.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 1.1000 -3.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 1.2838 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 1.1892 -4.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1536 1.2759 -4.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7529 0.1310 -4.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2767 0.1684 -4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7548 -1.0546 -3.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2503 -1.1342 -3.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5641 -2.3883 -2.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9083 -2.3975 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4167 -1.2452 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9849 -1.0267 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5966 -0.6697 1.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5274 -1.5801 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 -2.1595 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8613 -1.9942 3.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5507 -1.4351 4.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5206 -1.3037 5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 -0.4215 6.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 1.0370 6.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7051 1.7666 4.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2067 1.6017 4.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6079 2.3575 3.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -0.0109 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -0.0454 -2.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 0.2340 -3.2236 P 0 0 0 0 0 5 0 0 0 0 0 0 4.5537 -0.9078 -3.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 0.3135 -4.8417 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 1.6372 -2.8628 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1075 2.5930 -3.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 3.8946 -3.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2984 3.6229 -3.6821 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 3.6478 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3676 5.2154 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5941 4.8760 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4923 6.0339 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1363 4.4588 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 6.8075 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6205 6.0460 3.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3713 5.7354 2.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8669 4.9250 1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3847 4.0071 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9518 3.5017 3.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9612 2.6759 2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0621 0.7048 1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6702 0.4318 2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 2.0932 2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0289 1.7586 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0715 -0.2108 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -1.4301 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8782 -1.1213 2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 -2.4450 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5688 -4.5195 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 -3.0210 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -3.1143 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6879 -5.6061 -1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7368 -6.5717 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2968 -3.9379 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7407 -5.6181 1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -4.3079 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 -5.7909 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 -3.9422 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -4.5675 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 -0.3432 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6715 1.6630 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 0.3897 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 1.9421 -3.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 0.0998 -3.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 0.6055 -2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2492 2.3256 -3.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 2.0579 -5.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 0.2644 -5.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4643 1.1881 -5.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4174 2.2634 -4.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4256 0.0360 -3.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4579 -0.8193 -4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6241 1.1071 -3.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6539 0.0544 -5.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2858 -0.9647 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -1.9749 -3.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6622 -1.2746 -4.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6996 -0.2209 -2.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6433 -2.5535 -2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0868 -3.2356 -2.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8415 -2.5318 -1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2961 -3.3354 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5560 -1.2340 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1037 -0.3192 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2820 -2.0009 1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7083 -0.3003 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5251 -0.3319 2.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3928 0.3541 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3002 -1.7679 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9759 -2.8412 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9232 -3.0353 3.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6808 -1.4092 3.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2994 -0.4606 3.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 -2.2018 3.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7426 -2.3752 5.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 -1.2327 5.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2767 -0.6625 7.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4698 -0.7541 6.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2938 1.4400 6.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9901 1.4416 7.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 1.6376 4.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 2.8775 5.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7382 2.1221 5.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5472 0.5831 4.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6566 3.4704 3.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6021 2.0484 3.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8635 2.1614 2.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 1.0021 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -0.7217 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 -0.2450 -5.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 2.8530 -3.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 2.2280 -4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 4.5694 -4.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5984 4.3588 -2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8156 4.4317 -4.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 3.4797 -2.7069 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 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 14 12 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 56142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 M END