HMDB0287251 RDKit 3D PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 141140 0 0 0 0 0 0 0 0999 V2000 -8.3019 -5.5508 -2.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6414 -6.0822 -1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1557 -6.1865 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4504 -6.6989 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9486 -6.7928 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 -7.2645 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 -7.3057 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -7.7239 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 -7.7076 0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -6.9512 1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -5.9658 2.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8787 -6.1904 3.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 -5.2557 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 -3.9178 3.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 -3.5126 3.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7249 -2.4360 3.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 -1.4592 4.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 -0.1077 3.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 0.9437 4.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 2.1940 3.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2968 2.1475 2.6996 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 3.3535 4.5639 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 4.5647 3.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 4.5714 3.3045 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7259 3.4549 2.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 3.7581 2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 2.5457 1.1600 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9848 1.1889 1.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 2.7581 1.2061 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8436 2.7739 -0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7906 2.3262 -1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 2.5538 -2.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 2.0839 -3.7324 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6075 2.1295 -3.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 0.6874 -4.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 2.8742 -4.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 5.7886 2.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 6.4868 2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 5.9987 3.9404 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 7.6965 2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 8.7583 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8645 8.5947 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 8.0496 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4142 7.1848 -1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 6.5413 -1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 6.8372 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 5.9861 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 4.4701 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8002 4.0632 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 3.3953 -1.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0079 2.8281 -2.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 1.4193 -2.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6539 0.3848 -2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 0.3209 -2.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1111 -0.5478 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 -0.7268 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 -1.6192 0.4930 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9754 -1.8574 0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -1.1426 1.5918 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3875 -5.7272 -2.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9035 -6.0049 -3.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1674 -4.4260 -2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1056 -7.0444 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8763 -5.3684 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -5.1615 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9951 -6.8637 -2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8129 -7.7199 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6662 -6.0728 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -5.7544 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7522 -7.4165 -1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5997 -8.3075 0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 -6.5927 1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 -6.3523 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6192 -8.0929 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -8.8021 1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2641 -7.1271 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 -8.4083 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4263 -7.0062 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 -5.9386 2.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 -4.9857 2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 -7.1745 4.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 -5.5112 5.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -3.6576 2.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -3.2227 4.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 -4.1574 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7298 -2.2465 3.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3011 -1.6804 5.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0534 -1.3070 5.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.2281 2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 0.1963 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 1.1569 5.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 0.5617 5.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 4.7698 3.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6121 5.4241 4.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3567 4.5141 4.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 2.4543 2.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 3.4669 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6765 2.9876 -1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 1.2597 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 2.0115 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 3.6579 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3027 1.8596 -4.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 1.4805 -2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8646 3.1715 -2.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2274 0.0878 -3.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 0.3102 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 0.6404 -4.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 3.1965 -5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6256 2.3231 -5.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8869 3.7629 -4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 8.2127 3.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 7.4024 1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 9.5982 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 9.3302 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6376 7.8487 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 9.5834 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 8.4380 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 6.8631 -2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4833 5.4273 -1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 6.7419 -2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 7.9336 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 6.4075 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3751 4.1087 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 4.1093 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 4.4059 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0926 3.2047 -2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 2.9915 -2.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 3.3560 -3.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 1.2750 -3.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 -0.6425 -2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7754 1.3023 -2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 -0.2148 -3.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -1.5740 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 -0.1912 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 0.2473 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1815 -1.2413 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 -2.6365 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 -1.4086 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2335 -2.9568 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1815 -1.5328 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -1.4928 2.4001 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 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 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 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 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 34102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 36110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 6 58138 1 0 58139 1 0 58140 1 0 59141 1 0 M CHG 2 29 -1 33 1 M END