HMDB0268206 RDKit 3D PA(i-20:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 128127 0 0 0 0 0 0 0 0999 V2000 -16.6812 0.1465 2.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7823 0.2328 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5478 1.6350 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3759 2.1956 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0795 1.5529 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2286 1.5994 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7537 0.5443 -1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0191 -0.8209 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7116 -1.5292 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9679 -2.8234 0.2545 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8836 -1.5741 -1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8336 -0.7616 -1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0553 -0.8289 -2.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0135 -0.0839 -3.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3917 0.9599 -2.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 1.4035 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3183 1.2770 0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0041 0.6986 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2017 -0.4851 1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9222 -1.1609 1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 -1.7016 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -2.7884 0.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -1.0518 0.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2907 -1.4665 -1.0351 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1375 -1.5965 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4562 -0.3148 0.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 -0.0464 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 -1.0182 0.7838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 1.2925 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 1.4064 1.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 1.0913 1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 1.2416 2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7389 0.3648 3.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6834 -1.0834 3.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6117 -2.0256 2.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 -2.2672 1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6034 -1.1485 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0473 -1.6231 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0374 -2.6986 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2378 -2.4673 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -1.4365 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8143 -0.0067 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0182 0.8707 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1591 0.7118 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3268 1.6133 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8314 1.2979 -1.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8712 3.0325 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 -0.3833 -2.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 0.7498 -1.5041 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 1.9598 -2.6895 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0472 3.1703 -2.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3618 1.4110 -3.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 2.3952 -3.2385 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2663 -0.5532 2.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6559 -0.2792 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8280 1.1195 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2465 -0.3436 0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8585 -0.2727 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4531 2.2233 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3599 3.2571 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5731 2.2512 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1452 0.6096 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9838 2.5757 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1134 0.6761 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7890 -0.9658 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3780 -1.3944 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1781 -0.9656 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1412 -3.4497 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1226 -2.2624 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6601 -0.1245 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3865 -1.5905 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5667 -0.3356 -4.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 0.6979 -2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2892 1.9168 -2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9499 1.9232 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8663 1.6617 1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3075 1.4445 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4756 0.3098 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 -1.2271 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6777 -0.1325 2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3036 -0.4888 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1925 -2.0286 2.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6323 -2.4256 -1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -1.8595 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.4037 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 1.5856 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9448 2.0421 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2957 0.7574 2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 2.4505 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 0.1436 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6054 1.8824 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 2.3114 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 1.3891 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 0.8008 3.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7248 0.6262 3.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 -1.3881 4.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 -1.4378 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -3.0860 3.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -2.0248 3.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6764 -3.1999 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -2.6689 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 -0.4574 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3734 -0.6205 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2604 -0.7472 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0698 -2.0400 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -3.0252 -1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5527 -3.6597 -0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9508 -2.2563 1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8101 -3.4595 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5459 -1.6842 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1027 -1.5787 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5233 0.3704 0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0100 0.3035 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2994 0.5827 -1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 1.9257 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5673 -0.3084 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8250 1.0063 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1638 1.4182 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0401 0.2087 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1354 1.6370 -2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7941 1.8188 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7281 3.6956 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0588 3.0897 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4970 3.3618 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.7647 -2.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 -0.1710 -2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 1.5780 -3.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7601 2.3671 -2.4819 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 45 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 52127 1 0 53128 1 0 M END