HMDB0265616 RDKit 3D PA(22:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 134133 0 0 0 0 0 0 0 0999 V2000 -13.3029 -3.9281 2.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2741 -2.8032 2.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1513 -2.4733 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3881 -1.3266 0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8370 -0.1518 1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1568 0.2873 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4229 1.4628 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3923 2.5239 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2329 2.8993 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1186 2.7794 -1.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8821 2.2581 -1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7729 3.2563 -1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6922 2.9653 -2.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4611 1.7374 -2.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2830 1.5763 -3.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0081 0.3277 -4.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 0.5860 -5.5443 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9302 -0.5145 -3.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5504 -0.0332 -3.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1735 1.1137 -2.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 0.9641 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4855 1.4267 -0.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 0.3299 -0.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 0.1254 0.9248 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5402 0.7516 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 0.3058 1.3551 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 0.4859 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 1.1564 -0.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 -0.0431 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 0.5542 -1.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 0.1168 -1.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 0.4226 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 1.8710 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 2.3613 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7025 1.9039 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8723 0.4983 2.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1045 -0.1756 1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3758 0.4515 1.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5703 -0.2200 1.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -0.1434 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8543 -0.8184 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1506 -0.2393 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2727 -0.9774 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6486 -0.5263 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8575 -0.7322 1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2123 -0.2991 1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4992 1.1703 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9170 1.4237 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0308 1.0771 3.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7713 -1.3618 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6446 -2.0001 0.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6579 -3.6545 1.0903 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8828 -3.8452 2.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8404 -4.5577 -0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2337 -4.2219 1.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1147 -3.7641 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7179 -3.8811 3.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8194 -4.9063 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5337 -2.0031 3.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2704 -3.1927 2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8159 -3.2995 0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2537 -1.2258 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9807 -0.4271 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0623 0.6110 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9668 -0.4696 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4460 1.6477 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7939 3.4830 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5134 2.2905 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1470 3.3027 -1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1449 3.1000 -2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9384 1.9819 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6251 1.3156 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8898 4.2280 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9260 3.7605 -2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1305 0.9098 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 2.4249 -3.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9634 -0.2899 -4.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6439 0.3904 -6.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3048 -0.9357 -2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9089 -1.4596 -4.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 -0.9017 -3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 0.2232 -4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4239 2.1219 -3.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0148 1.1408 -2.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 0.5939 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 1.8427 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7177 0.4928 2.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 -1.1608 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 0.2360 0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3403 0.2550 -2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 1.6541 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6529 0.5945 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -0.9967 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -0.1969 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 0.1439 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 2.4464 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6394 2.2699 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 3.4978 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6364 2.2642 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7164 2.2340 2.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 2.5467 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0296 -0.1905 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1043 0.5113 3.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0871 -1.2198 1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -0.3376 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4252 0.2682 3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 1.5550 1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 -1.3085 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 0.2264 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 0.9104 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7558 -0.6596 -0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 -1.9130 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8785 -0.7684 -1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2213 -0.4237 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2413 0.8343 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1854 -2.0658 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1991 -0.9811 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3898 -1.0763 -1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7001 0.5749 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7928 -1.8324 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 -0.2448 1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9806 -0.9331 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2930 -0.4994 2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8410 1.7970 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4116 1.5005 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6818 0.9048 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0591 2.5384 1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3105 -0.0124 3.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8345 1.6307 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0950 1.2448 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -1.7472 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 -1.5264 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -4.0681 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -4.0858 0.5557 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 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 46 47 1 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 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 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 1 25 86 1 0 25 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 54133 1 0 55134 1 0 M END