HMDB0264873 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:2(11Z,14Z)) 124123 0 0 0 0 0 0 0 0999 V2000 -16.1545 -0.4829 -3.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3433 -0.2017 -2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8796 -0.1037 -2.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0925 0.2046 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1666 -0.8126 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6294 -2.1335 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6109 -2.7073 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8715 -2.1367 1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4352 -1.9079 0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8628 -0.7145 1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4844 0.5575 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 1.4108 2.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7366 1.9827 2.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1554 2.8121 1.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7012 2.1331 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5464 1.2099 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1784 1.7571 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8232 2.5773 1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 2.9261 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 1.7068 1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 0.6363 2.1451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 1.7259 1.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5895 0.5116 1.3212 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9101 0.9718 1.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 0.0842 2.1333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8168 -0.7786 3.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.7288 3.7888 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -1.7175 3.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0581 -1.9520 3.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -2.6261 1.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 -1.9872 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3966 -1.6323 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8510 -1.8100 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 -0.5138 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 -0.0493 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -0.7500 1.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3124 -1.2288 1.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2729 -1.1895 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2195 -0.6448 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3093 -0.6674 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2314 -0.1090 -2.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1485 0.4033 -3.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4172 -0.1344 -3.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2177 1.1386 -3.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6776 1.4533 -2.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4943 2.7206 -2.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7322 2.5193 -3.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 -0.0600 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 -1.2641 -0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 -1.8967 -1.6990 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4715 -0.7191 -2.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.7841 -2.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -2.8541 -1.8757 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2203 -1.5646 -3.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6644 0.0588 -4.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1811 -0.0753 -3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5495 -1.0727 -1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7144 0.7306 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7432 0.7727 -3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5087 -1.0261 -2.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5063 1.1829 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0255 0.3557 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2793 -0.9671 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7371 -0.4598 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0708 -2.6950 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2626 -3.6925 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8747 -3.0366 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3534 -1.3706 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8057 -2.7958 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7875 -0.7373 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6226 1.2001 0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5963 0.3275 1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8236 2.2662 2.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2871 0.8277 3.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0481 1.1897 2.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8121 2.6966 3.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4863 3.5923 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0746 3.4409 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4975 1.6332 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3693 2.9645 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7275 0.3052 0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 0.7275 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 2.3083 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 0.8999 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 2.0601 2.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 3.5391 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1551 3.3086 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 3.7348 2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 -0.2205 1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 1.7891 2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 1.5730 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 -1.4640 4.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 -2.7707 3.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -0.9529 3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6628 -2.4978 4.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 -2.9911 1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 -3.6297 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -1.8016 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -1.1520 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -2.5247 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9507 -2.3139 -1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1927 0.0912 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8362 0.9604 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8398 -0.0234 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 -1.5486 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5193 -1.7060 2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2367 -1.6320 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3526 -0.2231 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2050 -1.0898 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0696 -1.0283 -3.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0614 -0.2412 -4.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1048 1.0163 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6074 1.9538 -4.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8277 1.5366 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3490 0.6299 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9197 3.5988 -2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8171 2.9006 -1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6015 2.9508 -2.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8824 1.4454 -3.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6233 3.0749 -4.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2197 0.6817 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 -0.0790 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -3.2862 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -3.7998 -1.8972 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 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 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 52123 1 0 53124 1 0 M END