HMDB0113183 RDKit 3D PE-NMe(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -12.4680 -4.5789 -1.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2329 -5.2785 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5533 -4.6951 0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9939 -3.5365 0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9796 -2.5507 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7290 -1.3183 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2305 -0.1081 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8434 0.1153 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7392 0.9710 -1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1606 2.1249 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5400 2.7898 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4996 2.3101 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4364 2.0266 1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0431 2.1602 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 0.8430 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8996 0.1100 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 0.6011 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 0.7959 -1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7773 -0.3658 -2.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2423 -1.0984 -1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 -2.2150 -0.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 -0.5056 -0.3214 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -1.0298 0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 -1.3052 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6319 -0.1914 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 0.6065 -0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 0.3438 -1.8352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 1.7776 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 1.4525 -2.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 0.3927 -1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6971 0.0705 -2.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5791 1.2322 -2.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 1.9512 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0764 1.2427 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 0.0647 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0194 -1.1558 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 -1.7012 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9445 -0.9036 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2244 -0.6299 -1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9926 -1.1039 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1723 -1.9813 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9360 -2.4318 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0895 -3.2786 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9093 -3.7758 1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.1207 1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 0.1541 2.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 1.1986 3.6840 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6060 0.5204 4.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 1.4770 4.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 2.6590 3.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 3.6578 3.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 5.0169 2.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 5.0331 1.6636 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 4.8965 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6217 -4.6409 -2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9649 -3.5923 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2747 -5.1849 -2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2105 -5.7943 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6425 -6.2398 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4834 -5.3627 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5411 -3.3060 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8434 -2.1607 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8883 -2.9480 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7978 -1.3659 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8702 0.7742 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0757 0.1620 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5417 -0.9166 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1706 0.6327 -2.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1430 2.6808 -2.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4499 2.9637 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8714 3.9243 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4762 2.1705 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6161 1.6688 2.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8615 2.7424 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5349 2.7838 1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3602 0.4245 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 -0.8486 0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4941 -0.2107 -1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6488 1.4650 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 1.6056 -1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 1.2505 -3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -1.1608 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 -0.1017 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0589 -2.0025 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9525 -2.0396 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.8169 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6837 2.1342 -0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 2.5765 -1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 1.2013 -3.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 2.3906 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7293 0.6909 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 -0.5353 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 -0.7541 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -0.3183 -3.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4714 0.8186 -3.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1402 1.9454 -3.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2991 2.3325 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 2.8826 -1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0606 1.2098 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3078 1.9829 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6802 0.2531 0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4525 -1.8985 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8064 -2.3223 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6973 -2.5767 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4427 -0.5193 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7001 -0.0027 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4363 -1.4878 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5070 -0.1673 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8162 -2.8650 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8711 -1.4441 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2176 -1.5859 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -3.0938 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7063 -4.1409 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7355 -2.6350 -0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2406 -3.7811 2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8038 -3.1338 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2507 -4.7932 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.5485 2.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 0.8578 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 1.9743 3.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1193 3.7013 4.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 3.3983 2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 5.7156 2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 5.3395 3.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 4.2927 1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 3.8301 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9085 5.4151 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 5.3691 -0.2823 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 2 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 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 49120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 54127 1 0 54128 1 0 M END