HMDB0008251 RDKit 3D PC(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) 142141 0 0 0 0 0 0 0 0999 V2000 -6.3131 3.5723 6.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 2.7823 5.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2733 3.5606 4.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5184 4.0928 3.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0537 3.9334 3.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5924 3.3102 2.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 3.8706 1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2195 5.2410 1.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 5.2187 2.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 5.9752 1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1154 7.0364 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 7.5218 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 7.4754 -1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8692 6.9448 -2.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 5.8198 -3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 5.2714 -4.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 4.6493 -3.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 3.4860 -2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 3.1492 -2.5505 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 2.6895 -2.4635 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0989 1.5967 -1.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 0.7197 -1.2658 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0955 1.2551 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 0.2648 0.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8041 0.5770 1.6682 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9600 1.1892 2.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3394 -0.9210 2.3119 O 0 0 0 0 0 1 0 0 0 0 0 0 6.1292 1.5880 1.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1677 1.0722 2.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4226 1.8710 2.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2562 3.2212 2.7258 N 0 0 0 0 0 4 0 0 0 0 0 0 9.5617 3.8696 2.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7564 3.1812 4.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3561 4.0025 1.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8965 0.1748 -2.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8979 -1.1799 -2.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2959 -1.9112 -1.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 -1.8443 -3.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 -3.3517 -3.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -3.6965 -2.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4944 -5.1563 -2.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 -5.5781 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 -7.0257 -1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1317 -7.6979 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 -7.6062 -0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1555 -6.2324 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -6.3239 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 -4.9774 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 -3.8705 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2456 -3.1255 -2.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7054 -3.3648 -2.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 -2.1753 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 -2.2176 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7274 -3.4034 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 -3.6995 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4376 -4.9770 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8587 -5.4348 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3739 -5.7034 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3434 3.8663 6.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 4.4689 7.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 2.8883 7.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8178 2.5135 5.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4361 1.8177 5.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3634 3.7554 4.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9517 4.6674 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8064 3.1714 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5666 4.8356 3.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9964 2.3019 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 3.3525 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7373 5.6199 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 5.9197 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3639 4.4528 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 5.7821 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 7.9917 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 6.9304 -0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0906 8.0026 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6774 7.8799 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 6.6959 -2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 7.7681 -3.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 5.0473 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5057 6.2742 -3.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 4.4361 -4.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 5.9986 -5.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 4.2784 -4.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2021 5.4009 -3.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3285 1.0091 -2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 1.9749 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 -0.1905 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 2.1093 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.6109 0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4197 0.0738 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 0.8082 3.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 1.8275 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 1.3566 2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3593 4.9678 2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1789 3.6105 3.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0586 3.6694 1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7719 2.1568 4.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4123 3.8062 4.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7027 3.5529 4.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6714 5.0672 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 3.9692 2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 3.7710 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 -1.6474 -4.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -1.4788 -3.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 -3.6249 -3.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -3.8210 -4.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -3.0896 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 -3.3435 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 -5.2743 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -5.7931 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 -5.4030 -2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -4.9442 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -7.5430 -2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1508 -7.1634 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -7.3608 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3642 -8.8240 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 -7.9255 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1016 -8.3293 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -5.4287 -1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 -6.0311 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -6.6194 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8348 -7.0492 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 -5.1671 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 -4.7565 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 -3.6507 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -2.2877 -2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0495 -4.3227 -2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -3.3630 -3.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2489 -1.2337 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8447 -1.2486 -0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1466 -4.3043 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6023 -3.1566 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 -3.7950 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7425 -2.8830 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 -4.8590 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8394 -5.8010 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5135 -4.7504 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8525 -6.4309 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2268 -6.4069 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 -6.2047 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7575 -4.7733 -1.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 1 23 89 1 0 23 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 2 27 -1 31 1 M END