HMDB0260852 RDKit 3D PE(15:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 124123 0 0 0 0 0 0 0 0999 V2000 1.0182 1.6351 4.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 1.5645 2.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7647 2.9518 2.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 3.5265 1.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 2.6802 1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 3.2709 1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 3.5960 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 3.4341 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2169 4.6322 -1.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 4.9836 -2.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 4.3977 -3.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 5.2328 -3.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0609 5.0944 -3.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 3.9742 -2.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 4.5158 -1.6212 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5106 5.3368 -0.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 5.2010 -1.9532 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3075 6.4789 -2.4415 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 5.1559 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 3.9262 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6554 2.7313 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7198 1.6909 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9016 2.0132 -0.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4189 0.4612 0.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4509 -0.4540 1.0300 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5815 -0.7483 2.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4074 -1.2974 3.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -1.6479 4.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -1.4633 5.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 -2.2067 5.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0129 -2.0601 4.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 -2.6599 3.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 -2.3945 3.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 -2.9053 1.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 -2.3096 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -2.8274 -0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 -2.2045 -1.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 -2.6521 -3.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -2.3194 -3.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 -0.8718 -3.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0651 0.0444 -4.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -0.0920 -5.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 -1.3898 -6.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -1.6989 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 -2.4391 0.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2734 -3.8257 -0.6474 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6358 -4.4810 -0.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1377 -3.4847 -2.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 -4.8997 -0.0825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9866 -6.0283 -0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9114 -6.8874 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -7.2161 1.1531 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 0.6098 4.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 2.1310 4.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 2.3054 4.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2419 1.1617 2.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 0.9054 2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 3.5798 2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 4.5686 1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 1.6168 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 2.8102 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 3.4600 2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 4.0539 1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 2.6967 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 3.0239 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0581 5.3261 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 5.9637 -3.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 4.0847 -4.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1406 3.3868 -3.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 6.1690 -4.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 5.8390 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 3.2691 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 3.3437 -3.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 3.6163 -0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 6.1160 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9496 4.6315 -2.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 7.1621 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 5.6194 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 5.9270 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0085 3.6290 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 4.2233 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 2.8519 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 2.2291 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4186 0.0718 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -1.4335 2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8909 0.2079 2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 -3.3104 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4477 -1.7523 6.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -0.9751 4.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3036 -2.5362 5.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -3.7269 3.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 -2.1323 2.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 -1.3214 3.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 -2.9166 3.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3116 -4.0269 1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 -2.6073 1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4937 -2.4880 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7739 -1.2205 0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 -3.9136 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 -2.7429 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 -2.5240 -1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -1.0923 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8904 -3.7819 -3.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 -2.3414 -3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 -2.8224 -4.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -2.8038 -2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -0.7698 -3.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -0.4814 -2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 0.1401 -4.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 1.0929 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 0.2025 -5.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 0.6976 -6.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3237 -1.9286 -5.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -1.9674 -6.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8866 -1.2151 -7.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5433 -1.3862 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2961 -2.3052 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 -4.0253 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 -5.8278 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9276 -6.6044 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.2412 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -7.7918 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -6.2836 1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5607 -7.5921 1.6644 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 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 25 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 1 16 75 1 0 17 76 1 6 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 6 26 85 1 0 26 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 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 43115 1 0 44116 1 0 44117 1 0 48118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 M END