HMDB0289515 RDKit 3D PC(P-16:0/18:3(9,11,15)-OH(13)) 130129 0 0 0 0 0 0 0 0999 V2000 -8.8750 -5.6753 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5079 -5.0530 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8455 -5.0724 -1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4668 -5.6043 -2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8254 -5.6373 -4.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6643 -4.8781 -5.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0085 -4.9514 -6.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -3.4496 -4.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9189 -2.5310 -4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0344 -1.1264 -4.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1039 -0.2679 -4.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 1.1777 -4.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9068 1.5848 -3.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9402 3.0633 -3.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 3.5157 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 2.7903 -1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4709 3.2480 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4794 2.4781 0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 2.7392 1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 2.3317 2.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1965 3.4052 1.3273 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 3.6118 2.2985 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1032 5.0533 2.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1096 4.9880 3.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 4.3555 4.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 4.0484 5.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 3.3763 7.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 2.0899 7.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 0.9772 6.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 0.5553 5.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 -0.6627 4.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -1.1109 4.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 -2.3745 3.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 -2.5212 2.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -1.7153 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 -1.8492 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -1.1299 -0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6702 0.3325 -0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 0.9347 -2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 2.4072 -2.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 2.9085 2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 3.2114 0.8955 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 2.2891 0.9257 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8928 0.8892 1.4183 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3066 2.9549 1.9869 O 0 0 0 0 0 1 0 0 0 0 0 0 4.9102 2.1505 -0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0017 1.2626 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 1.0936 -1.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 0.5749 -2.8027 N 0 0 0 0 0 4 0 0 0 0 0 0 4.7933 1.4567 -3.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7372 0.5354 -4.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3786 -0.7168 -2.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8595 -6.7366 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5185 -5.1158 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2616 -5.6388 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8912 -5.5599 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6393 -3.9971 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 -4.6507 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4574 -6.0130 -2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7847 -6.6994 -4.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8174 -5.2105 -3.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6525 -5.3885 -5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0133 -4.9941 -6.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6701 -3.1182 -4.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0581 -2.8724 -5.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8805 -0.7927 -4.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2771 -0.6475 -5.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2013 1.8290 -5.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 1.3960 -4.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 1.3263 -4.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9214 0.9650 -2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9463 3.6177 -4.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9017 3.2659 -3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 3.4707 -3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 4.5961 -2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 3.0317 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 1.7037 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 4.3386 -0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 3.2316 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 1.3740 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 2.7145 1.1542 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-4.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 2.5164 -3.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0598 0.5176 -4.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3769 -0.3595 -3.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3254 1.4838 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7763 -1.0962 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7352 -1.4425 -3.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 -0.6870 -2.4181 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 22 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 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 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 22 82 1 1 23 83 1 0 23 84 1 0 25 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 50122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M CHG 2 45 -1 49 1 M END