HMDB0008414 RDKit 3D PC(20:3(8Z,11Z,14Z)/22:1(13Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -3.6163 -2.6858 3.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4524 -1.1969 3.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 -0.9640 4.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1683 0.5366 4.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9821 0.8164 5.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8789 2.2675 5.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 2.9660 5.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 2.3688 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5809 3.0596 3.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6849 3.7126 3.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8325 3.8475 4.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0892 3.3508 3.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 2.3788 4.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 1.6417 5.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 0.1911 5.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -0.8583 4.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 -1.0078 4.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2855 0.0354 3.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 -0.1408 1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 0.8419 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9029 1.7227 0.9483 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 0.8100 -0.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3907 1.6243 -1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 1.4455 -2.1702 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2716 2.2057 -3.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 1.9124 -4.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 2.7474 -5.8580 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2684 2.6410 -6.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 4.3701 -5.5938 O 0 0 0 0 0 1 0 0 0 0 0 0 3.8451 1.9818 -6.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 0.5967 -6.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -0.0492 -7.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6546 -1.4633 -7.5717 N 0 0 0 0 0 4 0 0 0 0 0 0 5.6339 -2.1502 -6.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8973 -1.8606 -8.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 -1.9268 -7.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9172 1.7142 -1.5362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 0.7923 -1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -0.3419 -1.9387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3812 1.0836 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 0.8349 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -0.5778 1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0807 -1.6004 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 -2.9436 0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 -4.1215 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 -4.1061 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 -5.2527 -1.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2935 -5.7038 -1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4795 -4.8899 -1.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 -3.6344 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 -3.0092 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0990 -1.8181 -1.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0048 -0.8669 -2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2931 0.4073 -1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4206 0.1318 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7977 1.3940 0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8386 2.5258 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3416 3.7775 1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5168 3.5798 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 3.2101 3.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 -2.7984 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 -3.1755 3.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 -3.1934 4.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2659 -0.6885 2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 -0.8760 4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 -1.5145 5.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 -1.3130 4.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9802 1.0062 3.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 0.8840 5.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 0.2813 5.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3092 0.3950 6.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7184 2.8363 6.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 4.0359 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 1.2808 4.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 2.5501 5.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7541 3.0080 2.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 4.1944 2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 3.5966 5.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 5.0183 4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 3.8530 2.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7582 2.1521 3.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4871 1.9219 5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1736 2.1367 6.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3481 -0.1014 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7883 -0.0023 5.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8171 -0.9819 3.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 -1.8705 5.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -0.8812 5.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 -1.9857 3.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 1.0356 3.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -0.1450 2.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -1.1550 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1984 -0.0832 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 2.7073 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 1.5303 -2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 0.3583 -2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3161 3.2831 -3.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2685 1.8965 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 0.4925 -7.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 0.2723 -5.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 0.4600 -8.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6552 0.1949 -6.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5621 -1.8439 -5.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6658 -1.9498 -7.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -3.2477 -6.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 -1.3739 -9.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 -2.9582 -8.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9609 -1.7414 -9.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -3.0502 -7.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0695 -1.6833 -6.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -1.4750 -7.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 0.5071 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 2.1578 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 1.5753 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 1.1063 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -0.6480 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -0.8267 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 -1.4393 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -1.3850 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 -2.9847 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4883 -3.0105 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3611 -4.0871 0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8537 -5.0330 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 -3.1593 -1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 -4.1691 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 -6.1593 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 -5.0770 -2.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4032 -6.6274 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 -6.2542 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4435 -5.4747 -1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 -4.5594 -3.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8275 -4.0054 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8374 -3.0220 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8804 -3.6504 -1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1072 -1.3995 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0762 -0.4959 -3.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 -1.1964 -1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1313 0.9520 -1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3753 1.0443 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4512 -0.2276 0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1664 -0.6489 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 1.2134 1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8445 1.6842 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7562 2.7610 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 2.2568 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3438 4.0694 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6453 4.6127 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3005 2.8235 3.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 4.5463 3.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 3.9980 3.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 3.1103 4.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8514 2.2392 3.1434 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 1 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 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 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 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 34103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 60152 1 0 M CHG 2 29 -1 33 1 M END