HMDB0265214 RDKit 3D PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/20:4(5Z,8Z,11Z,14Z)) 124123 0 0 0 0 0 0 0 0999 V2000 18.7351 1.8442 -1.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3899 1.3712 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2744 1.8210 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2702 2.5660 -0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0570 3.0989 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 2.7890 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9454 1.9766 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8025 1.1526 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5850 1.4037 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7586 0.4016 -1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9037 -0.9669 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9972 -1.6884 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8831 -1.3564 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3114 -0.0546 0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 0.1564 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 -0.8858 1.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 -1.4319 2.9323 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -1.9122 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5956 -1.2504 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -1.5377 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 -2.5840 1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -2.0713 2.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6445 -1.6158 1.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4965 -0.4039 1.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2832 -2.4825 1.4691 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4621 -2.5796 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5619 -2.1903 -0.5605 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6832 -0.6689 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7031 -0.1669 0.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9279 1.4822 -0.0840 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3332 1.8884 0.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 2.2433 0.9688 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 2.0704 -1.6673 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -2.6256 -1.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 -3.3451 -2.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -3.5449 -2.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 -3.8412 -2.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3253 -3.5421 -2.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7374 -2.1236 -1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9685 -1.3983 -3.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1423 -0.9506 -3.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4270 -1.0810 -2.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1221 0.1836 -2.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4187 0.5699 -1.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0954 -0.1905 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2783 -0.6688 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6452 -0.3276 1.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 0.6073 2.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6712 1.8149 3.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8350 2.2091 2.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8135 1.6024 1.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0498 2.6201 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9660 2.0422 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2845 1.6618 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9834 2.8590 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3532 2.3571 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5576 2.4589 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3552 0.9906 -1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4194 0.2372 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3002 1.5513 0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2637 1.5080 -2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5134 2.8369 -1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0303 4.2699 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0490 3.0250 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9310 3.3637 2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1809 1.9167 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6971 0.9145 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6267 0.0974 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 2.4239 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9043 0.6811 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8703 -1.6300 -1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9592 -1.2909 -0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2957 -2.7773 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4331 -2.1639 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7557 0.7559 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7639 1.1724 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -0.3274 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8751 -2.2932 3.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4117 -2.6785 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3109 -2.3959 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -0.4525 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 -0.9660 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 -3.2175 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2775 -3.3246 0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3256 -1.1885 3.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -2.8583 3.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 -1.9013 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9794 -3.5869 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7983 -2.5599 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -0.1288 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 -0.4936 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2961 2.3059 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 1.9736 -2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2392 -3.5037 -3.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0251 -4.9767 -2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1446 -3.9571 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1925 -4.1806 -2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9345 -1.5908 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6128 -2.1077 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0994 -1.2172 -3.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1262 -0.4209 -4.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1099 -1.5895 -3.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4111 -1.8112 -1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3918 0.8138 -3.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9533 1.5397 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3825 -1.0313 -0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5120 0.5213 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9714 -1.4011 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5546 -0.8481 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9139 0.9011 2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7262 0.0042 3.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1112 2.4980 3.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1505 3.2082 3.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6679 0.6783 1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8126 1.6315 2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0763 2.8904 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4628 3.5684 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5310 1.1184 -0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1031 2.7554 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1110 0.8972 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9192 1.1305 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7892 2.9608 1.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7267 3.7995 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0779 2.7010 0.6371 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 6 28 90 1 0 28 91 1 0 32 92 1 0 33 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 50113 1 0 51114 1 0 51115 1 0 52116 1 0 52117 1 0 53118 1 0 53119 1 0 54120 1 0 54121 1 0 55122 1 0 55123 1 0 55124 1 0 M END