HMDB0266663 RDKit 3D PA(8:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 96 95 0 0 0 0 0 0 0 0999 V2000 12.9849 0.4166 -2.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9825 0.0604 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5406 0.5561 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9205 1.4339 0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6031 2.0655 0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7102 1.7230 1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6066 1.0615 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 0.5809 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0209 -0.9011 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 -1.5920 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6423 -0.9391 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -1.4455 -1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9935 -2.0393 -1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -2.2942 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -1.6131 -0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 -0.6902 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8524 -0.2413 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2595 0.6924 1.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 1.2533 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.8521 2.6087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 2.3774 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3075 2.8434 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0549 1.7000 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 1.4349 -1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 0.8692 0.2561 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 -0.2132 -0.2870 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0793 0.0306 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9125 -0.9735 -0.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2962 -0.8385 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6956 0.1756 0.3451 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2262 -1.8810 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9619 -1.3580 -1.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7665 -0.1359 -1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7962 -0.4166 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6046 0.8094 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7583 1.9386 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7249 3.0965 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2562 -1.5269 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5314 -1.4979 1.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -2.9346 2.4982 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1421 -3.7213 1.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4868 -3.9324 2.7225 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -2.6259 4.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8156 -0.2877 -2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3572 1.4395 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4253 0.3999 -3.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0346 0.5042 -1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8783 -1.0582 -1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5249 0.1727 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4054 1.7548 1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 3.1830 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2247 1.9806 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9797 2.0392 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9431 0.8107 2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 1.1095 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8423 0.7675 -0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 -1.4210 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 -2.6808 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 -1.1632 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6691 0.1605 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -1.3090 -2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.3938 -2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 -3.4377 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 -2.1781 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 -1.9178 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 -0.2731 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 -0.6585 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 1.0231 2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 0.5309 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8301 1.0625 3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 3.2441 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 2.0817 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 3.6579 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7674 3.1886 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4451 -0.3363 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2165 0.1541 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3789 0.9837 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8982 -2.1542 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6018 -2.7796 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6135 -2.1032 -2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1888 -1.0283 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2995 0.1790 -2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1304 0.7264 -1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2886 -0.7190 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4291 -1.2655 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4101 0.5295 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 1.1053 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3291 1.6559 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9882 2.2612 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4025 3.1766 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1155 4.0075 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2762 2.8164 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 -1.8612 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 -2.2915 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8879 -4.2418 1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1815 -2.3064 4.6192 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 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 26 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 19 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 26 75 1 6 27 76 1 0 27 77 1 0 31 78 1 0 31 79 1 0 32 80 1 0 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 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 37 92 1 0 38 93 1 0 38 94 1 0 42 95 1 0 43 96 1 0 M END