HMDB0288750 RDKit 3D PC(24:1(15Z)/18:2(9Z,11E)+=O(13)) 153152 0 0 0 0 0 0 0 0999 V2000 18.2224 6.8769 -1.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7554 6.5121 -1.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4959 5.2815 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0277 4.8685 -1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8696 3.6307 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4547 3.0762 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5026 1.8329 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2037 1.1092 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 0.6499 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -0.6334 -0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8298 -1.7015 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8219 -2.6753 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6607 -2.1593 1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7021 -1.2852 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0574 -1.9617 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3575 -3.2220 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 -2.9654 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -2.0733 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 -1.7918 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -3.0777 1.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 -2.8941 2.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 -2.1334 2.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 -2.8444 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -2.1344 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 -1.0281 1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5867 -2.6792 -0.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8165 -2.1989 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 -2.0391 0.7477 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6538 -3.2873 1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3673 -3.5158 2.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2238 -4.8370 3.5226 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8493 -4.9254 4.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -4.5909 4.8867 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.5507 -6.3309 2.9575 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5979 -6.5888 1.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 -8.0347 1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9311 -8.2585 -0.1342 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.2702 -8.0876 -0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5037 -9.5958 -0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0713 -7.3379 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 -1.6498 0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 -0.3782 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8753 0.5305 0.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8692 -0.1961 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1313 1.3333 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1929 1.8612 -1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0096 3.2223 -2.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9899 4.0899 -2.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0944 4.7051 -1.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2052 4.0149 -1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0297 3.1611 -2.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3100 3.3832 -2.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0490 4.4776 -1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3625 4.6008 -1.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2070 5.6364 -1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4400 5.5808 -1.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8064 6.7017 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5072 6.5602 0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4056 6.1514 1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0320 4.8393 1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9931 4.4030 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7481 6.0736 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6243 7.0608 -2.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2680 7.8039 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4937 6.2768 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0911 7.3234 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7602 5.4334 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0654 4.4002 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 5.6805 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8673 4.5996 -2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5360 2.8120 -0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1300 3.8206 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0671 2.8614 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8207 3.8702 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8135 2.1638 1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3324 1.1581 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 1.9415 0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1647 0.4174 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3141 1.4182 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0128 -0.8929 -1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 -1.3588 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6380 -2.3041 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4011 -3.4413 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5054 -3.2979 -0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1256 -2.9951 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0464 -1.5336 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 -0.9512 1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1794 -0.3669 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 -1.2075 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8103 -2.1819 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8649 -3.7225 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -3.9735 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8617 -3.9662 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7808 -2.5678 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 -2.5791 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -1.1274 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -1.1403 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 -1.1690 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3163 -3.7334 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -3.6368 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -3.9152 3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9586 -2.3209 3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -2.1755 3.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 -1.0676 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 -3.8377 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1801 -2.9398 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 -1.2448 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 -2.9291 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -1.1446 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8064 -4.1288 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5571 -3.4297 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 -6.3986 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2846 -5.8949 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1222 -8.7146 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8628 -8.3675 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4531 -6.9906 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0513 -8.3966 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3166 -8.5644 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9628 -9.8569 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8966 -10.2833 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 -9.6969 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0385 -7.7060 -1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 -7.3219 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -6.3175 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6258 -0.4730 0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0685 -0.7301 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0963 1.8309 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1766 1.3936 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3804 1.2001 -2.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1181 1.4331 -1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5111 3.8037 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 3.2420 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4217 3.5908 -3.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3718 4.9311 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5204 5.4999 -2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6591 5.4296 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8847 4.8184 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8572 3.4709 -0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5531 2.3005 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8126 2.6631 -3.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6444 5.2326 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7720 3.8316 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8683 7.1673 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5328 7.6030 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0694 7.5946 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5595 5.8908 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8561 6.3508 2.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2312 6.9773 1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2314 4.0337 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5582 4.7728 3.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8188 3.7954 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5933 3.7840 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5402 5.2597 0.5375 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 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 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 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 2 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 22103 1 0 22104 1 0 23105 1 0 23106 1 0 27107 1 0 27108 1 0 28109 1 1 29110 1 0 29111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 38116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 40124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 52140 1 0 53141 1 0 54142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M CHG 2 33 -1 37 1 M END