HMDB0286187 RDKit 3D PC(17:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 141140 0 0 0 0 0 0 0 0999 V2000 9.8089 -4.9461 -2.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3059 -5.0450 -2.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6905 -6.0609 -3.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7439 -5.7288 -4.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1562 -4.3992 -4.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 -3.9100 -5.6538 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7230 -3.8436 -5.9606 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -2.5511 -5.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9748 -2.0480 -4.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 -0.7206 -4.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 -0.2191 -4.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -0.9572 -2.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 -0.4516 -1.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 -1.2378 -0.7966 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8459 -0.7995 0.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2686 -2.7199 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 -3.5193 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 -4.4933 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 -4.8764 -1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2123 -4.7616 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -3.9138 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 -2.9541 -2.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 -1.5195 -1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3453 -1.3904 -1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 -2.2825 -2.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0484 -0.3539 -1.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4884 -0.3825 -1.3976 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9423 0.9288 -1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7176 1.9818 -0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0596 3.2616 -1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5303 3.3661 -2.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 4.4991 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4058 4.5210 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9774 4.3431 1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 3.0859 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8593 3.0390 0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6572 3.0740 2.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 3.0421 2.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 1.8127 2.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 1.7710 2.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 2.7458 2.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 2.7948 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 3.1395 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 4.5216 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 4.6553 -1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 6.0194 -1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7873 6.0810 -2.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0938 -0.6100 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7913 0.3869 0.8863 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5125 0.0410 2.3500 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.8699 1.3536 3.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 -0.7663 2.0588 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.5702 -0.9014 3.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0601 -0.1652 4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2311 -1.1390 5.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1492 -1.7122 4.5275 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2095 -1.5560 3.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 -3.1450 4.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 -1.2119 4.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9927 -4.0008 -3.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1784 -5.7903 -3.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3728 -4.8956 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 -5.4284 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8229 -4.0663 -2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0378 -7.1194 -3.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 -6.5475 -4.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3989 -3.6332 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0256 -4.5703 -4.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 -4.5604 -6.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9706 -4.5149 -6.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 -1.9326 -6.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7301 -2.6567 -4.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -0.1482 -5.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 0.7960 -4.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 -1.9546 -2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 0.5542 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -1.0408 -0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7252 -0.5221 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8396 -3.0531 -1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 -2.8664 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -3.2887 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 -5.0199 1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -6.0102 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5812 -4.3966 -1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 -5.4645 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 -3.9097 -1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0289 -3.0857 -3.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 -2.9132 -2.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 -1.3440 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 -0.8304 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8183 -1.2257 -2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0323 0.9221 -2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3928 1.2107 -2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0768 4.8970 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4404 5.2656 -1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7283 5.5097 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0308 3.7815 1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8373 4.3746 2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 5.1871 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 2.2244 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3408 3.0250 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 2.1063 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 3.9498 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2101 2.2415 2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 4.0026 2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 3.0141 3.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 3.9901 2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 1.6020 1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 0.9536 2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9449 1.7367 3.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2975 0.7425 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 2.5315 2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6366 3.7831 2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 1.8012 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1536 3.4963 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 3.1134 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 2.4131 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 5.2962 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 4.7355 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 3.8374 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 4.5465 -2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4597 6.1853 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 6.7668 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3522 7.0497 -2.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 5.9790 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4387 5.1976 -2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6927 -1.6047 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1828 -0.7582 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9455 0.1557 5.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 0.7263 4.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 -0.5498 6.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -1.9226 5.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 -1.8602 2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 -0.5312 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -2.3022 2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 -3.3334 5.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -3.5907 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9497 -3.5859 4.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -0.9320 6.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 -0.3773 4.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 -1.9922 4.8320 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 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 27 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 6 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 1 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 27 91 1 6 28 92 1 0 28 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END