HMDB0263329 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/16:0) 116115 0 0 0 0 0 0 0 0999 V2000 15.6963 0.0028 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9667 0.4058 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7795 1.8599 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5875 2.4242 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3133 1.6356 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 2.4568 -0.2582 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9885 1.2190 -2.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7528 0.4314 -2.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 0.0806 -1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7781 -0.6967 -1.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9553 -1.0754 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1656 -0.7369 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3073 -2.0158 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -2.3856 2.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4325 -1.7361 3.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 -0.4305 2.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7509 -0.1316 2.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.0983 2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -0.8369 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 0.5105 2.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 0.7560 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4632 -0.1019 0.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 1.9121 1.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 2.2698 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9065 1.2547 -0.5268 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6076 1.7362 -1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 0.7481 -2.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 1.2049 -3.6307 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5043 2.0440 -3.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3251 2.1516 -4.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 -0.1442 -4.4595 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 1.0443 0.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 -0.2377 0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 -1.1374 0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 -0.4403 1.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5155 -0.8863 1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 -2.1322 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5325 -2.5913 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6337 -2.9466 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8941 -3.3965 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5306 -2.3394 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8906 -1.1161 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5379 -0.0326 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8150 -0.5233 -1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5088 0.5404 -2.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9222 1.7301 -1.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8621 1.4034 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1981 2.6805 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1639 2.2578 1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0113 -0.4682 1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4816 -0.7624 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2075 0.8793 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0418 -0.1712 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6212 0.0675 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6450 2.5202 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 3.5025 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3868 0.8107 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5805 3.2017 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9069 2.1396 -2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 0.6699 -2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4768 0.1120 -3.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2243 0.3878 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5783 -0.9691 -2.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0884 -1.6559 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1174 -0.1954 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3868 -0.0642 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1528 -2.6892 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -3.4147 2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6295 -1.7878 4.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5237 -2.4524 3.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 0.4600 3.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 0.9269 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 -0.9179 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -2.1627 2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 -1.6564 2.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 -1.0796 3.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6643 1.2874 2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 0.6680 3.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 2.1718 -0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 3.3132 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 0.2996 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 2.6062 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 2.0495 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 1.6924 -5.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 -0.9057 -3.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9689 -1.2331 2.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 0.4396 2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3475 -1.0302 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 -0.0780 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -2.9665 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4604 -2.0245 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -3.5262 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8459 -1.8667 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9007 -2.1046 1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3175 -3.7713 1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6338 -3.6243 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7142 -4.3039 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3841 -2.7360 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7761 -2.0301 -1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9388 -0.6766 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5845 -1.3771 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6855 0.8986 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7859 0.2688 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5037 -1.2981 -2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4576 -1.0744 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8489 0.8326 -3.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4183 0.0817 -2.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0135 2.1961 -1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3928 2.5002 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8118 0.9594 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3550 0.7427 0.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6890 3.4210 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2762 3.0703 0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5659 1.5917 2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9161 1.5980 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6058 3.1160 1.8631 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 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 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 0 24 80 1 0 25 81 1 6 26 82 1 0 26 83 1 0 30 84 1 0 31 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 49116 1 0 M END