HMDB0266779 RDKit 3D PA(P-16:0/18:3(10,12,15)-OH(9)) 113112 0 0 0 0 0 0 0 0999 V2000 -12.4410 -1.2810 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6537 -2.5046 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3163 -2.1238 1.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9622 -0.8692 1.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6948 -0.3170 2.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0290 0.4610 1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 0.5622 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9737 1.2952 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5445 1.3487 -2.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1182 2.0246 -3.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8160 3.2632 -3.3872 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6830 2.3433 -3.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8513 1.0836 -3.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 1.4599 -3.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 2.3301 -2.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 1.6156 -1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 2.5340 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 3.0416 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 1.9546 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 1.8620 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 0.9717 0.3429 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -0.0950 0.2029 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9071 -1.3548 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2972 -2.5266 -0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 -3.3514 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 -3.5060 1.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 -4.4965 1.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 -3.9357 2.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 -2.9748 1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -2.3729 2.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 -1.4053 0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0013 -0.7342 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3979 0.2372 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 -0.4758 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 0.4605 -2.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3106 1.0999 -1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4079 0.0750 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7259 0.7585 -1.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7660 1.5367 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5476 0.5873 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7349 0.0137 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 1.3251 1.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 1.5283 2.9543 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8668 2.8654 2.8934 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3033 0.2542 2.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1406 1.3565 4.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9282 -0.7040 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6689 -0.5952 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4217 -1.5783 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2408 -2.9793 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5783 -3.1685 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6107 -2.8680 2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6972 -0.1200 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9169 0.3743 3.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0018 -1.0913 2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0869 0.9527 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4982 0.0546 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0481 1.8190 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5072 0.7923 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4563 1.5134 -4.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2397 3.9598 -2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5302 2.9101 -4.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3986 3.0316 -2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0655 0.5251 -2.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 0.4644 -4.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8352 0.4985 -3.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3372 1.9596 -4.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 3.2960 -2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 2.5085 -2.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 0.7785 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8494 1.0867 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4292 1.9342 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 3.3971 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 3.6732 -1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 3.6767 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5548 0.0455 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 -1.1433 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 -1.2945 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -4.0420 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 -2.8761 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -5.1702 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 -5.2026 2.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 -4.6924 2.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -3.3326 3.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -2.1207 1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 -3.5754 0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0338 -3.1668 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0605 -1.8403 3.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7961 -2.0543 0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 -0.6806 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 -1.5255 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9426 -0.2414 2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 0.9587 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2630 0.8511 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2819 -1.3097 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5817 -0.9314 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0324 -0.1603 -3.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 1.2460 -2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3033 1.7015 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4998 1.8114 -2.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4308 -0.5602 -2.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2059 -0.6555 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5712 0.0379 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9016 1.5038 -2.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0648 2.3764 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 1.9941 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5110 0.2152 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2270 -0.2871 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7325 1.1441 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 -0.7312 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0023 2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 -0.3652 3.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4807 0.6694 4.8723 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 2 0 9 10 1 0 10 11 1 0 10 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 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 22 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 22 76 1 6 23 77 1 0 23 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 0 28 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 40109 1 0 41110 1 0 41111 1 0 45112 1 0 46113 1 0 M END