HMDB0009803 RDKit 3D PI(16:2(9Z,12Z)/18:0) 136136 0 0 0 0 0 0 0 0999 V2000 -2.0480 0.9710 -4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8894 -0.5237 -4.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 -1.2031 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 -2.6624 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -3.3936 -2.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6142 -2.8184 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3127 -3.2928 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7726 -3.9179 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 -4.2436 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 -3.6177 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -4.1221 3.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4836 -3.4999 4.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 -3.8862 5.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -3.6521 6.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 -4.0512 5.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -3.4067 4.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 -4.0404 4.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 -2.1473 4.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -1.6382 3.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0619 -0.2359 2.7971 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9532 0.1723 1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 1.4555 1.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9482 1.6104 -0.0555 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6148 0.5692 -1.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 1.2054 0.6031 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9162 3.1174 -0.7644 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2324 3.0398 -1.9714 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1092 3.3947 -3.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 2.7646 -3.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2457 4.8867 -3.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1995 5.1195 -4.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9048 5.3838 -3.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9102 5.1473 -5.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 4.6057 -3.2518 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6993 5.5016 -3.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 3.9968 -1.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2819 5.0222 -0.9971 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 -0.1274 2.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 0.6099 3.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 1.2109 4.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 0.6854 2.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5297 1.4489 3.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 1.5155 3.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8449 2.2190 4.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 2.3294 3.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 0.9838 3.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2513 0.8728 2.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 1.6415 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2886 1.5084 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9285 2.0104 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 1.7432 -1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 2.3128 -1.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2267 1.7983 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 2.3731 -1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 3.8640 -1.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 4.4713 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9879 4.1181 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 1.3411 -4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 1.2396 -4.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9704 1.5388 -5.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8288 -0.8167 -4.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3085 -0.7642 -5.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7815 -0.9546 -4.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 -0.7140 -2.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -3.1411 -4.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 -4.4969 -3.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.7089 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5247 -3.0645 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4127 -3.0814 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 -4.2105 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -3.9636 -0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 -5.3546 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -2.5314 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 -4.0424 1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 -4.0246 2.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 -5.2268 3.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -3.6782 4.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4579 -2.3648 4.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -3.4343 6.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -5.0110 5.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 -2.5250 6.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 -4.0812 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5639 -5.1706 5.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 -3.8782 6.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5854 -1.5304 3.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4892 -2.2549 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 0.3904 3.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0112 0.0977 2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8012 -0.5542 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 1.6494 1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 2.0072 -2.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5715 3.0369 -4.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2447 1.8117 -3.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4764 5.3924 -2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8502 4.3608 -4.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 6.4570 -3.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 5.2617 -5.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 3.7681 -3.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 5.3630 -2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 3.4136 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 4.8088 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6395 1.2364 1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -0.3099 2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 0.9898 4.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 2.4993 3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 1.9559 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 0.4560 2.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 3.2214 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 1.6121 4.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3048 2.9816 2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8805 2.7530 4.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7237 0.3981 4.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2301 0.3678 2.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4533 -0.2620 2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9097 1.0295 3.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9412 1.4848 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6906 2.7598 2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 2.0469 -0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3756 0.4397 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 1.5209 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8298 3.1017 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 2.1773 -1.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6935 0.6294 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 3.4277 -1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 2.1119 -3.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1901 0.7052 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 2.2157 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 2.0346 -2.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 1.8961 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 4.2883 -2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9412 4.2286 -2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0283 4.2146 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0525 5.5877 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6273 5.0738 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 3.5002 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0614 3.7170 0.1364 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 2 0 5 6 1 0 6 7 1 0 7 8 2 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 20 38 1 0 38 39 1 0 39 40 2 0 39 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 36 27 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 3 64 1 0 4 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 19 86 1 0 20 87 1 1 21 88 1 0 21 89 1 0 25 90 1 0 27 91 1 6 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 6 35 99 1 0 36100 1 0 37101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 57136 1 0 M END