HMDB0268248 RDKit 3D PA(i-21:0/20:3(8Z,11Z,14Z)-O(5,6)) 133133 0 0 0 0 0 0 0 0999 V2000 17.8652 -0.1532 -2.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6379 -0.6220 -1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1910 -0.3303 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9101 -0.8924 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7071 -0.3900 -0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4754 1.0440 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4428 1.6716 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2733 0.9522 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0269 1.2922 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 1.8324 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9889 2.1499 1.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0857 1.4942 2.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2231 0.5450 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9394 -0.1196 1.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5121 -0.0053 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3719 -0.6756 -0.3749 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1429 0.8101 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6905 1.0230 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 1.6903 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 1.8067 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 0.4166 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 0.0040 -1.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -0.4471 0.9159 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1556 -1.7250 0.7006 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9642 -2.1826 1.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 -1.5440 1.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 -1.5327 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2435 -2.1019 -0.9734 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 -0.8839 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5359 -1.0364 -1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8986 -0.4904 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9258 -1.2675 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3404 -0.9239 -1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7804 0.4704 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2550 0.5223 -1.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9412 1.8056 -1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9169 2.3642 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4640 1.4908 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8757 1.0373 0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8931 2.1401 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2978 1.6065 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4863 0.7942 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9149 0.2378 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9280 1.3392 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3361 0.8986 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9203 0.0395 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9008 0.6813 1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3919 -1.3416 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 -2.7639 0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -4.0369 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 -5.1482 0.8381 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6401 -6.3903 0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1635 -5.5220 2.4913 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 -4.6066 0.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3293 0.7891 -2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2620 -0.9383 -3.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6477 0.1447 -3.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7161 -1.7666 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 -0.2155 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1831 0.8124 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0255 -0.6808 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9092 -2.0344 0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8109 -0.7424 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8617 -1.0485 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7671 -0.6295 -1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2951 1.7045 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4181 2.7758 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4324 -0.1565 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2097 0.9768 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9484 1.0842 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0782 2.0884 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0416 2.2426 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6847 3.2909 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1265 1.8418 3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6063 0.1795 3.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 -1.2604 1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6377 -0.0787 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7109 -0.2916 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 1.2702 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6466 1.6446 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 0.0891 -0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 2.7224 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0684 1.1427 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 2.2391 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 2.4448 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 -1.8333 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -2.2857 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 -3.2708 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 0.1985 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 -1.3585 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 -0.4400 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4195 -2.0852 -2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -0.4516 -3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 0.5783 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6616 -1.2491 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 -2.3410 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9694 -1.5998 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -1.1446 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6164 0.7351 -0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2394 1.2369 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3337 0.2815 -2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7754 -0.3192 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4688 2.5843 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9921 1.7045 -1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8632 2.5979 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5236 3.3106 0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4485 2.1145 2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7945 0.6339 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0004 0.3996 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1270 0.4054 1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7953 2.8204 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6971 2.8232 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9657 2.5145 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5868 1.0331 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3252 1.3731 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7882 -0.0800 -0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9494 -0.3994 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0492 -0.3842 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7006 2.0153 -1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8240 2.0067 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9912 1.8001 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3903 0.3230 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0365 -0.0605 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5251 1.5763 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3321 -0.0870 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8452 0.8330 1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8265 -1.5375 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2387 -2.0963 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8272 -1.5982 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -2.6997 1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -2.5436 0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5012 -6.2458 2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 -4.4558 0.9151 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 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 1 0 16 17 1 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 46 48 1 0 24 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 17 15 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 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 53132 1 0 54133 1 0 M END