HMDB0290542 RDKit 3D SM(d18:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 134133 0 0 0 0 0 0 0 0999 V2000 0.0207 2.0396 -2.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 2.4772 -2.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 2.4739 -1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7233 1.7509 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 0.8113 -1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9711 1.2220 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8845 0.4404 -0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7008 -0.9366 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5938 -1.8753 -1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1944 -2.8827 -1.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8067 -3.3156 -2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 -4.7263 -1.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -5.1643 -0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8117 -4.3866 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -4.5865 1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -3.6578 2.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3663 -2.2793 1.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 -1.3160 2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 -1.6029 4.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1858 -1.8698 4.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 -0.5752 5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 -0.2252 5.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 0.4225 4.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 0.8142 3.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 0.6457 4.2223 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 1.3115 3.1188 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2765 2.6813 3.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9638 3.5016 2.8511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 4.9523 3.6493 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3626 4.6247 5.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 5.9192 3.4476 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6243 5.7623 3.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 6.1802 1.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 6.9608 1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 6.3100 1.4065 N 0 0 0 0 0 4 0 0 0 0 0 0 6.9672 7.3395 1.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 5.8250 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1291 5.2747 2.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 0.5485 2.8504 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8598 1.1578 1.7855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0014 -0.8759 2.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 -1.4187 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 -2.8780 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -3.3022 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -2.8378 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -3.3189 -1.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 -2.8471 -3.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 -3.3435 -4.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 -2.9122 -5.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 -1.4813 -5.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2177 -0.5454 -5.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8251 -0.3935 -4.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8565 0.7435 -4.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5648 1.0198 -3.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 -0.1057 -2.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 1.0808 -3.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 1.8656 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 2.7659 -3.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 1.9529 -3.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 3.5868 -3.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 3.1603 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9079 1.8313 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4033 -0.1837 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 0.7470 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 2.2209 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 0.8699 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6894 -1.3135 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0539 -0.9693 0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6846 -1.6823 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9588 -3.5027 -2.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7021 -3.3910 -3.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0223 -2.6596 -1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3311 -5.4468 -2.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 -6.2543 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 -3.3367 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -4.8544 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 -5.6304 1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -3.9971 3.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 -1.9635 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -0.2875 2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3135 -2.5678 4.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5646 -2.3184 3.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 -0.8208 6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9315 0.3699 4.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 0.4126 6.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 -1.2067 5.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.3172 5.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 1.4087 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 3.1648 4.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9529 2.4831 4.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 6.8571 1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 5.3379 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 7.9748 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4841 7.2345 0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8601 7.6930 2.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7962 8.1476 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9526 6.8957 1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 5.4646 -0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2234 5.1078 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 6.6664 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 4.3559 2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2061 4.9405 2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0405 5.6251 3.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 0.6394 3.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5987 0.5899 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9145 -1.5478 3.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0269 -0.7532 0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 -3.3284 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 -3.3094 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 -4.4336 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 -3.0698 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4048 -1.7066 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5354 -3.1684 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 -2.7978 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 -4.3916 -1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -3.3903 -3.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2159 -1.7633 -3.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -4.4801 -4.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 -3.0437 -3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3558 -3.5043 -6.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -3.2869 -6.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.3627 -6.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2128 -1.0233 -5.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -0.6541 -6.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8107 0.4917 -5.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 -0.1899 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4852 -1.2730 -4.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 0.4291 -5.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 1.6504 -4.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 1.8568 -3.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8983 1.4112 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1555 -0.4790 -3.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7797 -0.9201 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9411 0.3368 -1.7299 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 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 39 41 1 0 41 42 2 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 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 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 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 25 87 1 0 26 88 1 6 27 89 1 0 27 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 36 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 38103 1 0 39104 1 1 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 55134 1 0 M CHG 2 31 -1 35 1 M END