HMDB0289832 RDKit 3D PC(PGD1/P-18:1(9Z)) 142142 0 0 0 0 0 0 0 0999 V2000 0.9227 -1.3588 5.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 -0.8556 6.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 0.2538 6.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 1.4742 5.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 2.0999 6.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 3.3377 5.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1751 3.1383 4.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 4.4817 3.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 4.2847 2.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 4.8423 1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 5.7082 1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 5.3256 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 3.9887 1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7797 2.8271 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3832 1.4779 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 0.3551 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 -0.9590 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -1.8975 1.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -1.7184 1.3905 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9004 -2.5920 2.0963 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9184 -3.9911 1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2744 -4.2672 0.3034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -4.2048 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 -3.8361 0.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 -4.5648 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8624 -4.3898 -2.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9275 -4.7515 -3.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0198 -3.9352 -4.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1457 -4.3435 -6.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 -3.5333 -7.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -3.7213 -6.6546 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3300 -5.1388 -6.7436 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6791 -5.6528 -7.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 -4.9344 -6.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -3.7027 -7.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -3.3944 -7.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -3.0028 -7.6346 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1436 -1.5588 -7.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -0.9154 -7.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.5784 -6.7927 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1934 0.8048 -5.8981 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 0.9980 -6.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 2.4811 -5.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7804 2.9369 -5.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 2.6538 -6.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 3.1404 -5.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2409 -1.9567 2.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2103 -0.7116 2.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -0.0998 2.7141 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4311 -0.6607 1.4729 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 1.5842 2.5923 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7411 -0.5466 4.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1506 -0.1755 5.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0639 -0.6030 6.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -0.2836 7.6522 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4164 -1.5159 8.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4637 0.5914 8.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2777 0.3671 7.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 -2.3810 5.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0733 -0.7283 4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 -1.4935 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 -0.4804 7.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 -1.7185 7.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 0.5590 7.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 -0.1702 5.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7494 2.2369 5.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 1.3342 4.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 1.3630 6.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 2.3296 7.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 3.7441 6.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 4.1481 5.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 2.7264 3.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 2.4872 4.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5207 4.7883 4.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 5.2568 3.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 3.6432 2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 4.6393 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 6.7198 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 5.9927 2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 5.4427 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7351 6.1567 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 3.8727 2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 4.0014 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 2.8493 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8614 2.8931 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 1.3667 2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4074 1.4067 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 0.4273 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 0.4468 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1584 -1.1548 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 -2.8453 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 -2.6718 3.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 -4.5225 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0205 -4.5465 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 -3.8842 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1736 -5.5927 -1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -5.0931 -1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2562 -3.3576 -2.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9927 -4.6847 -4.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 -5.8237 -3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -4.0304 -4.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3084 -2.8707 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -5.4052 -6.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1827 -4.1051 -6.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 -2.4559 -7.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -3.8810 -8.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 -3.2766 -5.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 -5.7920 -5.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 -6.3990 -8.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -4.7366 -5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7316 -5.8085 -7.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2298 -3.2089 -8.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -0.9810 -7.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 -1.4132 -6.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 1.1075 -7.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2279 0.2415 -5.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 0.6913 -6.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 0.4898 -5.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 2.6721 -5.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3224 3.0536 -6.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 4.0230 -5.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 2.4062 -4.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 3.1460 -7.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 1.5649 -6.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 2.6624 -6.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2246 2.8503 -4.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3433 4.2322 -5.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0666 -2.5214 2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -1.6084 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1391 -0.6053 5.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 0.9427 5.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2709 -1.6735 6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0213 -0.0189 6.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 -2.1564 7.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -2.0838 8.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9201 -1.3312 9.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3194 0.0870 8.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 1.4353 7.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8564 1.0742 9.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5056 -0.2987 7.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 1.3331 7.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 0.5683 8.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 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 2 3 18 19 1 0 19 20 1 0 20 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 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 20 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 37 31 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 18 91 1 0 20 92 1 1 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 1 32108 1 1 33109 1 0 34110 1 0 34111 1 0 37112 1 6 38113 1 0 39114 1 0 40115 1 6 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 2 51 -1 55 1 M END