HMDB0115406 RDKit 3D PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) 125124 0 0 0 0 0 0 0 0999 V2000 17.0912 0.6564 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6648 1.2272 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2415 1.5000 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2017 0.9727 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3469 0.0102 -0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 0.5282 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8786 -0.0668 -1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8363 -1.3065 -1.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1119 -2.4576 -1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4921 -2.6907 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3397 -1.7747 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9076 -1.4971 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3119 -0.3415 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 0.9314 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 1.8684 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8228 1.8490 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8924 0.7744 -1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1308 0.3088 -2.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1223 0.4827 -3.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 1.0836 -3.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 2.3551 -3.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 2.9685 -3.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9856 4.0987 -3.8256 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 2.3310 -2.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 3.0250 -1.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 2.2384 -1.0114 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4962 1.6388 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 0.9869 0.9958 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6467 0.2910 2.2209 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2862 -0.2296 3.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 1.4135 2.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 -1.0401 1.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 1.1266 -1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 1.0197 -1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 1.9407 -0.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 -0.0164 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 -0.9019 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4471 -0.0937 0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 -0.9269 1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2294 -1.7331 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8291 -2.5554 2.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -3.3081 1.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1551 -2.3307 1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4973 -1.3730 2.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4588 -0.2990 2.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8764 -0.5367 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1814 -1.1119 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5626 -1.4827 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6351 -0.5137 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0506 0.1237 1.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2699 1.0289 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7659 2.0285 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1654 0.1283 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8323 1.4961 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2813 0.0152 1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8111 2.2099 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1006 0.5174 1.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8453 2.2209 -1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9601 1.2380 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3937 -0.9437 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6397 -0.2693 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7731 1.4890 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9145 0.4666 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8402 -1.7002 -2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2595 -1.0596 -2.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0996 -3.3297 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0072 -3.7160 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 -2.3543 1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8982 -0.8515 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 -2.3839 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 -0.3938 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0831 0.7931 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7812 1.4765 2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2873 2.8286 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7674 2.7445 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 1.0177 -0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0586 -0.1521 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0307 -0.1383 -2.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 0.1448 -4.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 0.3650 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 1.2228 -2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4647 3.0227 -3.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 2.0581 -5.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 3.3153 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 3.9662 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0997 2.8843 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 2.4304 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 0.9484 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 1.1245 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 -0.8291 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -0.6597 -2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2806 0.4632 -2.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -1.7293 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 -1.4045 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 0.5209 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2163 0.6326 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3822 -0.1779 2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 -1.5674 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9796 -1.0221 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9394 -2.4040 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -2.0133 3.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 -3.3450 2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8733 -3.9925 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4688 -3.8443 2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9660 -3.0601 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8527 -1.8227 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7958 -1.9147 3.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5245 -0.8299 2.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0167 0.4214 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4251 0.4198 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3370 0.5281 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4650 -1.0122 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8086 -0.3257 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4813 -1.9567 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9004 -2.3889 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5175 -1.9925 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5555 -0.9871 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3541 0.3262 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3549 0.8484 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3979 -0.6284 2.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5390 1.5657 1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0844 0.3876 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9320 1.5789 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6719 2.1760 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3281 2.9894 0.0545 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 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 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 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 0 16 75 1 0 17 76 1 0 17 77 1 0 18 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 0 25 85 1 0 26 86 1 1 27 87 1 0 27 88 1 0 31 89 1 0 32 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 52125 1 0 M END