HMDB0115474 RDKit 3D PA(24:1(15Z)/22:1(13Z)) 151150 0 0 0 0 0 0 0 0999 V2000 -0.5993 1.9863 6.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 1.3584 7.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 0.0055 7.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.0233 6.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -1.2897 7.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -2.3682 6.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 -2.7481 7.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3304 -3.8349 6.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -4.9683 6.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 -5.5667 5.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 -5.4693 3.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1268 -4.6165 2.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 -3.3177 2.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 -2.0925 2.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 -0.9762 1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 -0.6297 1.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 0.4890 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.6873 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 2.7930 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 4.0067 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5672 3.8126 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1994 3.5354 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 3.3522 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 3.1665 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 4.2327 -1.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 1.9767 -2.0914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 2.1021 -3.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1801 0.9190 -3.9106 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2962 1.3697 -4.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5604 0.3536 -5.7928 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7705 0.7938 -6.8911 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.6920 -0.3232 -7.2431 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7089 2.0312 -6.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9775 1.4068 -8.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7038 -0.2038 -3.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2308 -1.4581 -3.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 -1.4339 -4.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 -2.7640 -3.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4869 -3.0492 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2498 -2.6169 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3256 -1.1812 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 -0.9346 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6714 -1.1940 1.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -0.3989 1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 -0.5951 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 -1.9473 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 -2.2158 -1.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -1.1434 -2.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6356 -1.6492 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4573 -1.1343 -4.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 0.0647 -4.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 1.1576 -5.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 1.7495 -4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 2.7872 -5.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 3.5149 -4.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7551 4.3573 -3.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 5.3704 -4.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 6.1946 -3.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 1.2765 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2965 2.8424 6.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 2.4036 6.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1931 1.3432 8.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 2.0206 8.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -0.3525 8.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3982 0.1129 7.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5621 -0.7612 5.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -1.9634 6.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 -1.7340 8.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -0.4239 7.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -3.2539 6.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -2.0345 5.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 -3.0577 8.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3629 -1.8345 6.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -4.1567 6.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -3.4104 5.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9406 -5.2946 7.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -6.4143 5.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3014 -5.5416 3.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 -6.5800 3.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 -5.2572 1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -4.5975 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 -3.0471 1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 -3.4319 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 -1.6271 3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 -2.1688 3.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 -0.0816 2.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5552 -1.2364 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9647 -1.4922 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4009 -0.4142 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 0.0745 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 0.8012 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 1.5070 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 2.0462 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7963 3.0774 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 2.3365 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1817 4.8744 -0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 4.2477 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 2.9869 1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 4.7420 1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1581 2.6331 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0347 4.4003 -1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 2.5653 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 4.2968 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 2.8610 -3.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 2.6047 -2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 0.6429 -4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1977 1.6520 -4.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9804 2.2655 -5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5635 2.1517 -6.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2939 2.0246 -7.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6496 -3.4321 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0939 -3.2956 -3.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5679 -2.6967 -2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -4.1878 -1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3038 -3.1089 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0149 -3.1202 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9004 -0.4503 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4711 -0.9430 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 0.1802 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8288 -1.4287 1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 -2.3000 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7068 -0.9941 2.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6376 -0.4620 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 0.6918 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 0.2283 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7108 -0.5130 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 -2.7292 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5533 -1.9238 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2795 -3.1951 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -2.2757 -2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9594 -1.1036 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4704 -0.2296 -2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 -2.5884 -3.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -1.6291 -5.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 -0.2575 -5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 0.5433 -4.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 1.9931 -5.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7991 0.8607 -6.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 0.9751 -4.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 2.3370 -3.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 2.1466 -6.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6396 3.3983 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 2.7785 -4.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 4.1480 -5.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 3.7755 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 4.9226 -3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9515 4.8554 -4.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3229 6.0739 -5.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 7.2853 -3.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 6.0004 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 5.9222 -2.3275 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 1 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 28 35 1 0 35 36 1 0 36 37 2 0 36 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 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 23102 1 0 23103 1 0 27104 1 0 27105 1 0 28106 1 6 29107 1 0 29108 1 0 33109 1 0 34110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 58151 1 0 M END