HMDB0265415 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 121120 0 0 0 0 0 0 0 0999 V2000 13.8892 2.4856 2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1752 1.7906 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1416 1.6067 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5016 0.4731 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1259 -0.8677 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2334 -1.2032 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0524 -1.7786 0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4374 -2.1825 -0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1745 -3.6398 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0098 -4.2176 -0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7727 -3.4075 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8698 -3.7971 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4262 -3.0040 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7445 -1.6131 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -0.5567 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5423 -0.6003 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7385 -1.7593 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 -1.5421 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3602 -0.3219 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -0.3602 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7396 -1.3905 0.3792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 0.7583 -0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1214 0.8253 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 -0.0976 0.0671 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2272 0.4716 -1.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 1.7410 -1.1751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 2.4466 -2.6503 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2583 1.6959 -3.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 4.0435 -2.4572 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 2.4837 -3.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 -0.1077 0.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7337 -1.3147 1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 -2.3618 0.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0052 -1.4729 1.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 -1.3289 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2305 0.0570 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3221 1.1204 1.3421 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5195 0.8543 2.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3474 2.4449 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3036 2.8467 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2036 4.1716 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0981 4.6321 -1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2738 3.8627 -1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4717 4.6315 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3433 4.1111 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2935 2.7864 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2208 2.3179 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1440 0.9482 1.2515 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8735 0.6188 1.6617 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6059 -0.0879 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5288 -1.4726 0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9927 -2.5116 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1535 -2.4749 -1.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7035 -2.7424 -1.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2054 1.7305 2.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7459 3.0855 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1874 3.1703 2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4821 2.6287 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6166 0.9696 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5894 2.5695 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2605 0.5573 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8304 -1.4259 -1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1232 -1.4355 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5568 -0.9982 1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 -1.9670 1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -1.9805 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5686 -1.5376 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0277 -4.3546 -0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 -5.3218 -0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9985 -2.3754 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -3.8239 -1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -4.8561 0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7624 -3.4439 1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2327 -1.4415 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6786 -1.4175 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2152 0.4816 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.3793 0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 -1.7190 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -2.7536 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0487 -1.4168 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6159 -2.4034 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 0.6378 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -0.2266 -2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3468 0.6239 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 1.8847 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 -1.0922 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 0.5589 -1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 -0.2185 -1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 4.3920 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 1.6235 -3.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 -2.4980 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1122 -0.8021 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 -2.0556 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1102 -1.5446 1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3894 0.2022 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 0.1209 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 1.0801 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1558 0.4582 1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 3.1312 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0808 2.1267 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3427 4.7930 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9973 5.6373 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2687 3.9015 -3.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2867 2.8143 -1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6478 5.6396 -1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2226 4.7145 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4904 2.1203 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0459 2.9557 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8084 0.8928 2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3204 1.4639 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9541 -0.0544 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6319 0.1103 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2187 -1.5889 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5252 -1.7317 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9032 -3.5037 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0347 -2.2885 -0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5318 -3.2901 -2.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3258 -1.5348 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2082 -1.7973 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6028 -3.5496 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2207 -3.0173 -2.1694 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 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 24 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 2 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 2 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 30 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 1 38 98 1 0 39 99 1 0 40100 1 0 41101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 45106 1 0 46107 1 0 47108 1 0 48109 1 1 49110 1 0 50111 1 0 50112 1 0 51113 1 0 51114 1 0 52115 1 0 52116 1 0 53117 1 0 53118 1 0 54119 1 0 54120 1 0 54121 1 0 M END