HMDB0267853 RDKit 3D PA(i-17:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 121120 0 0 0 0 0 0 0 0999 V2000 -16.7413 1.9380 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4358 0.5266 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2571 0.4904 0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0091 1.0554 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9178 0.9528 1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7004 1.5042 0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6134 0.8024 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4375 -0.6034 0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0967 -1.3764 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0021 -2.0536 -0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9565 -2.1269 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6329 -1.5562 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1889 -2.2663 -1.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -1.6038 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4298 -0.9853 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 -0.2657 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1305 0.3907 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 1.0806 -2.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0259 0.6003 -3.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 0.6032 -2.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4324 -0.4288 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -1.4417 -1.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -0.2985 -0.7243 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0098 -1.1789 0.2903 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9947 -0.5296 1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 0.5671 1.8359 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 1.7898 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9376 1.9986 0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 2.8779 1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 2.9729 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 1.7805 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 1.5552 2.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2868 0.3915 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5441 0.4930 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3653 1.6636 1.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6249 1.9171 1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 2.2029 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9945 1.3501 -1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4789 0.0594 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6347 -1.1592 -1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 -1.3716 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0158 -1.2087 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 -2.1495 -1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5622 0.1561 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -1.9023 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 -2.8113 0.9094 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -3.6264 0.4361 P 0 0 0 0 0 5 0 0 0 0 0 0 5.3225 -2.8082 0.6938 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0253 -3.9126 -1.2458 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1758 -5.1236 1.1989 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4336 2.0655 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8490 2.0929 -0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2402 2.6414 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2800 -0.1349 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2991 0.0778 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4764 0.9972 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0264 -0.5775 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1172 2.1035 -0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6796 0.3809 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9175 -0.0755 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2805 1.6573 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7389 2.5588 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7253 1.2708 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3012 -1.0856 1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6477 -0.5934 1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8579 -1.3472 -1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9048 -2.5785 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7234 -3.2447 0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2103 -1.8275 1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8633 -0.5162 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2444 -3.2457 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -2.1430 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 -0.9923 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0483 -0.2361 -1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 0.4137 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 2.1925 -1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0812 1.1214 -2.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0098 1.2293 -4.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 -0.4150 -3.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0461 0.4099 -3.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 1.6278 -2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 -1.9984 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 -0.3536 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 -1.3250 2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 2.9073 2.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 3.8516 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 3.9199 1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 3.0911 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 0.8993 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 1.9520 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4663 1.3273 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 2.4548 2.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 -0.5930 2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6658 0.3883 3.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 0.2865 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1392 -0.4221 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6653 1.6053 2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 2.6393 1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 2.9210 1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3918 1.1962 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6204 2.5037 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0498 3.2731 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8322 1.4005 -1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 2.0198 -2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7814 -0.2767 -2.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4243 0.2455 -2.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7543 -2.0609 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -1.4288 -0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2844 -0.9083 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4635 -2.5095 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5061 -1.6399 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0401 -1.9693 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6153 -1.8766 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5290 -3.2000 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5699 0.6863 0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1930 0.7730 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6713 0.0335 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0888 -2.5340 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 -1.1807 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 -3.0570 -1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 -5.8008 0.7344 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 1 0 12 14 1 0 14 15 2 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 42 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 1 25 83 1 0 25 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 49120 1 0 50121 1 0 M END