HMDB0296670 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0/22:0) 131130 0 0 0 0 0 0 0 0999 V2000 -18.5836 -1.6800 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5946 -2.6496 -1.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1501 -2.4359 -0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6742 -2.3525 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1520 -1.1917 1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8201 0.1724 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4488 0.7090 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4804 0.0546 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0853 0.7850 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1579 2.1768 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9485 2.9843 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6913 2.5605 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0429 1.3469 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7222 1.0169 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7929 2.1839 -1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4313 1.9928 -1.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 0.8172 -1.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3931 0.7897 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 1.9192 0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 2.1404 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 0.9709 0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 1.3424 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 2.3272 0.4164 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 0.6795 -1.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.1206 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3714 0.2625 -2.7171 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4422 0.3599 -3.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 -1.1616 -2.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -1.1022 -1.2642 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1873 -2.2534 -0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8098 -3.3447 -1.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 -2.2656 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 -1.8085 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4995 -1.8225 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8211 -1.3632 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9086 -2.1000 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9963 -3.4424 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7445 -3.8313 2.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4032 -3.1452 3.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5984 -1.6909 3.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0392 -1.3885 3.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6244 -0.6149 2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9963 0.1480 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3258 1.5809 1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9952 2.2942 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4849 1.7962 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0044 1.8861 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6925 1.0908 0.3780 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3476 -0.2593 0.2922 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1859 1.2100 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5781 0.6728 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1049 -2.0091 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4531 -1.6955 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2835 -0.6296 -0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7145 -2.6628 -2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9090 -3.7169 -0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7617 -1.5540 -1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6149 -3.3057 -1.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0097 -3.3259 1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5905 -2.4591 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7649 -1.2920 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2677 -1.2172 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3054 0.3917 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4713 0.8729 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0445 0.8758 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5658 1.7856 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1689 -0.9532 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7387 0.0537 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6012 0.6021 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5740 0.2074 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4321 2.1826 -1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0108 2.7533 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7465 3.0900 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1704 4.0889 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0113 3.4636 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8443 2.4536 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5652 0.4157 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6439 1.6325 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9479 0.8668 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3225 0.0846 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2325 3.0477 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7515 2.5294 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6087 1.8694 -2.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8975 2.9591 -1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 0.7265 -1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2634 -0.1004 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 -0.1831 0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3542 0.6731 0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 1.6987 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1675 2.8840 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 2.4160 -0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 3.0033 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6472 0.0792 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 0.6787 1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 1.1294 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 2.1649 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 0.7202 -3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 0.7931 -3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 -1.6575 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 -1.6417 -3.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -3.3047 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7582 -1.6515 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3896 -0.7866 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8257 -2.4761 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -0.9994 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4491 -2.7206 1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8962 -0.3209 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8272 -1.6351 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9402 -3.8937 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4001 -4.1440 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7508 -4.9790 2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9323 -3.6979 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2180 -1.4062 4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0672 -1.0865 2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6480 -1.8833 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7228 -0.4722 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8859 0.0407 1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3815 -0.2608 0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9935 2.0309 2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2324 3.3661 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1311 2.5658 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1272 0.8485 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2582 1.5250 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2792 2.9544 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3792 1.5090 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0764 -0.8483 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6539 0.5355 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5200 2.2636 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4011 1.4618 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6322 0.3386 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9712 -0.2436 -1.3163 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 1 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 1 0 18 19 1 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 26 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 6 27 98 1 0 28 99 1 0 28100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 1 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END