HMDB0268517 RDKit 3D PA(i-24:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 140139 0 0 0 0 0 0 0 0999 V2000 2.7198 3.2411 -5.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 2.8552 -4.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.0816 -5.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 3.8791 -5.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9047 4.7234 -3.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 4.4443 -3.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 5.3258 -3.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0169 6.7104 -3.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 7.7876 -2.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 9.0343 -3.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 7.7630 -1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 7.0382 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 7.2011 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 6.5537 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8526 5.5562 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 5.9062 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 5.1815 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 3.9536 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6893 2.7515 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4012 1.5201 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 0.3063 0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 -0.4191 -0.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 -0.0742 1.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0371 -1.1855 0.7540 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5084 -2.0281 1.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 -2.5528 2.6751 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -3.4842 2.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -3.9188 1.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4409 -4.0219 3.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8504 -5.2573 2.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -5.8307 3.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 -4.9151 3.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 -5.4950 4.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 -4.5335 4.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 -5.0533 4.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1871 -4.1508 4.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8677 -2.7880 5.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0326 -1.8233 5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -1.7327 3.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4001 -1.3027 2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8161 0.0422 3.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 0.3075 2.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 0.2505 0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8371 0.5364 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0765 0.4796 -1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -0.8692 -2.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 -0.8962 -3.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 -0.6992 -4.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 -1.6770 -4.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -1.8688 -3.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -1.1440 -5.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 -0.7719 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8995 -1.9297 -0.4679 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 -1.6692 -1.4341 P 0 0 0 0 0 5 0 0 0 0 0 0 10.3613 -1.1115 -0.6113 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8666 -0.6201 -2.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7160 -3.1640 -2.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 2.8708 -4.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 2.7848 -6.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 4.3370 -5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 1.7668 -4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4074 3.4116 -3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 2.4868 -6.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 3.9228 -5.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 5.7691 -4.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0614 4.4896 -3.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 3.4212 -2.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0887 5.0468 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1446 6.8818 -4.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9342 6.8366 -4.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 7.7760 -2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 9.0871 -4.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9153 8.4634 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 6.3878 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4264 7.9298 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 6.7650 1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 4.5588 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 5.5670 -0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4981 6.8186 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 5.5008 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 3.6287 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 4.0183 2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 2.9637 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 2.5805 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 1.3833 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 1.7206 2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 -1.8179 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1276 -1.3702 2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2096 -2.8171 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 -4.2598 4.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 -3.2123 3.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 -5.9814 2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -4.9989 1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4451 -6.8065 2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -6.0822 4.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 -4.7641 2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 -3.9204 3.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 -5.5780 5.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -6.4423 3.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -4.2642 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3989 -3.5826 4.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6615 -5.2167 5.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2051 -6.0804 4.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 -4.5932 5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6431 -4.1982 3.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -2.8301 6.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 -2.3913 4.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7031 -0.8238 5.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8565 -2.1686 5.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2842 -0.9458 3.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9626 -2.6504 3.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8769 -1.2442 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -2.0600 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 0.0679 4.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 0.8686 2.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -0.5158 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1425 1.2373 2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 1.0811 0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5806 -0.6742 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0222 -0.1669 0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4814 1.5564 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 0.7785 -2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 1.2491 -1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 -1.0967 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 -1.6835 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3892 -1.7933 -3.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4846 -0.0429 -3.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0679 -0.6018 -5.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1842 0.3420 -4.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 -2.6568 -5.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3205 -2.0463 -3.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 -1.0195 -2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 -2.7780 -2.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0993 -1.1917 -6.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4339 -1.7696 -5.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -0.1165 -5.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9478 -0.1453 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -0.1875 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 -0.1891 -2.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0077 -3.4488 -2.7646 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 1 0 9 11 1 0 11 12 2 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 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 49 50 1 0 49 51 1 0 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 6 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 50131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 56139 1 0 57140 1 0 M END