HMDB0113495 RDKit 3D PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -6.4733 -0.8482 4.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3060 -1.5051 3.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6433 -2.9078 3.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7649 -3.5061 2.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5718 -2.8233 0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 -3.4211 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7185 -3.9268 -1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9727 -3.9739 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2666 -3.3096 -2.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4945 -2.5518 -3.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 -2.1717 -3.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1386 -2.6454 -4.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 -1.7853 -4.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3906 -0.3618 -4.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 0.4101 -4.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0598 0.0871 -3.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 -1.2873 -3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -1.6721 -4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 -0.9284 -4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 -1.0047 -3.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0663 -0.1390 -2.3071 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 -1.9622 -2.7341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -2.1349 -1.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -2.3542 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -3.6579 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -3.6145 -1.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5318 -5.1490 -1.4474 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5010 -5.1404 -2.5511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 -6.3460 -1.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 -5.3596 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4754 -6.3176 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 -6.4316 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -7.4250 3.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7807 -7.0340 3.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -1.3268 -0.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 -0.7190 1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 -1.1603 2.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 0.3673 1.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 0.0183 1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1591 1.2264 1.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 2.3908 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 2.1049 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 3.3989 -1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6103 4.4608 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 5.5448 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1998 5.8538 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 7.1320 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8802 8.1818 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 8.3067 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4523 8.6749 1.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2679 7.9616 2.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 6.7079 3.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7364 5.5102 2.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8416 5.0321 1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5033 6.0066 0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 5.3781 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6819 -1.4057 5.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3291 -0.7996 3.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1433 0.1922 4.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4509 -1.4446 4.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 -0.8808 2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8099 -3.5189 4.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0223 -4.5698 2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2364 -1.7568 1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5376 -2.7629 0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 -3.4254 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 -4.3746 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1914 -5.1336 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 -3.7744 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3230 -3.4834 -3.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9382 -2.1442 -4.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1337 -1.0174 -3.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 -2.2687 -2.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 -3.7492 -4.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 -2.3053 -5.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2981 0.1380 -4.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6272 -0.0276 -5.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 1.5577 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 0.9295 -3.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 -1.4443 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 -2.0181 -3.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2454 -1.5293 -5.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 -2.7655 -4.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5433 -1.3029 -5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 0.1531 -4.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5358 -3.0699 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6409 -1.3491 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -2.5690 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -4.4991 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 -3.8632 0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -7.2060 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 -7.3144 0.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -6.1826 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 -5.4298 2.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 -6.6602 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 -8.3554 2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 -7.7037 2.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -5.9829 3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -7.0543 4.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4107 0.8417 2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 1.2055 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4777 -0.3191 0.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.7437 2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 1.5156 2.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 0.9603 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 3.1871 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 2.8010 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 1.2561 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 1.9489 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 3.5427 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 3.1803 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 4.3181 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 6.2627 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 5.9087 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 5.1030 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 7.1811 -1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 9.0900 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 7.5458 2.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 9.2587 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 9.6077 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 8.3154 2.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 6.8717 4.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8472 6.3925 3.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 4.6283 3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 5.7146 3.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 4.0327 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 4.8931 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5453 6.2209 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 6.9040 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4725 4.6992 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 6.1630 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 4.8650 -1.0139 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 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 24 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 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 29 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END