HMDB0116585 RDKit 3D PG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -5.6923 -2.3721 8.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -2.2253 6.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0063 -1.4800 6.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5924 -1.3486 5.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6505 -0.5965 4.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 -0.4015 3.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2508 0.7688 2.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 2.0273 3.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 2.7528 2.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4908 3.9276 2.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3327 4.7747 2.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 5.1544 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2201 5.0063 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 4.4118 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 5.5249 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 5.5063 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 4.4137 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 4.0693 -1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 3.1007 -2.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 1.7509 -2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 1.5107 -1.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 0.6948 -2.8093 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 -0.6175 -2.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -1.5214 -3.6534 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4945 -2.9126 -3.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 -3.8812 -4.1151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -5.3812 -3.9826 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5588 -6.5043 -3.8834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 -5.6165 -5.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5235 -5.3644 -2.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 -5.8822 -1.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 -5.8685 -0.3068 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0953 -6.6100 -0.4845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 -6.5027 0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 -5.7812 1.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.5260 -2.9968 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 -1.3650 -3.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7842 -1.1917 -4.7071 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8139 -1.4005 -2.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 0.0046 -2.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2952 0.9465 -1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 0.6060 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3754 0.6928 0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3762 0.1090 1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0483 0.7524 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 0.1596 2.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 0.7348 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 0.2530 3.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 -0.4919 2.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 -0.8849 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 -0.4039 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6183 -0.9020 -0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -0.4612 -1.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9623 1.0236 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2144 1.3243 -2.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3945 2.8022 -2.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 3.3985 -3.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5433 -3.4434 8.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0409 -1.6798 8.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7458 -2.0711 8.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1143 -1.6751 6.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -3.2095 6.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1967 -0.4241 7.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -1.9221 7.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 -2.3607 4.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 -0.8643 5.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5357 -1.3563 4.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 0.2227 5.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -1.3315 2.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 0.8291 1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 2.6134 3.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5407 1.8152 4.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4905 2.1619 2.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4581 4.3845 1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 5.7665 2.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 4.4928 2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 5.6227 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2672 5.3285 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 4.1722 1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6193 3.5281 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 6.4217 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7707 6.4197 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1878 3.5504 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 4.8405 -2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 5.0445 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 3.7448 -0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 3.0221 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 3.4696 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -1.0944 -1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 -0.6213 -3.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 -1.3222 -4.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 -3.1845 -2.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -2.8757 -3.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 -5.1923 -5.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 -6.9265 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0209 -5.2398 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -4.8322 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 -6.3515 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 -7.5678 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 -6.4500 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 -4.8766 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6039 -1.9999 -2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5756 -1.8343 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8290 0.3740 -3.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -0.0484 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6277 1.0971 -2.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 1.9499 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 1.4364 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0936 -0.3698 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5521 1.7702 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 0.0880 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 0.2740 2.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 -0.9605 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5682 0.5973 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 1.8418 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 0.4812 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 -0.9244 2.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 0.7873 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 1.8421 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5721 0.5020 4.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 -0.8475 3.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5706 -2.0309 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 -0.7835 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 0.6748 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5149 -0.9312 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -0.6878 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -2.0291 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.9405 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6658 -0.8658 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 1.5220 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1513 1.4517 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1116 0.8847 -2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0842 0.8166 -3.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5492 3.3178 -2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2751 2.9636 -3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6035 2.5391 -4.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4752 4.0465 -4.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5462 3.9340 -2.9639 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 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 24 36 1 0 36 37 1 0 37 38 2 0 37 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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 32 97 1 1 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 57138 1 0 M END