HMDB0266859 RDKit 3D PA(a-13:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 107106 0 0 0 0 0 0 0 0999 V2000 14.4920 0.0268 -3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3790 0.2332 -2.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8785 0.5651 -0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7816 -0.0815 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1335 -1.3619 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5362 -2.0740 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -2.4356 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2309 -2.1990 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0766 -1.3450 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5055 -1.9785 -1.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0659 -1.3199 0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 -0.3635 0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2545 -0.4949 2.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3536 0.4228 2.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1117 1.6518 1.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 1.8950 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8087 1.1500 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6461 -0.2283 1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -1.1207 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -0.7320 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0503 -1.0240 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -1.8062 1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 -0.5576 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1712 -0.9355 1.4809 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4730 -1.5467 1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -0.9593 0.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 -0.3397 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9516 -0.2546 -1.3433 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2399 0.2065 -0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 0.9695 -2.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6224 1.5329 -2.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0999 2.4667 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4117 3.0776 -1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7158 2.4583 -1.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3160 1.3711 -2.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8734 -0.0226 -2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8648 -0.6349 -0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3766 -2.0569 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3066 -0.6925 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1475 -1.5382 -1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.3022 2.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 0.6856 2.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 2.0201 3.9196 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6530 2.2787 4.3302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 3.3642 3.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 1.7991 5.2615 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1362 0.1162 -4.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3002 0.7595 -3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8802 -1.0269 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9156 1.2457 -2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5572 -0.4322 -2.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4490 1.5431 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2494 0.3901 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9040 -2.0332 0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -1.2607 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2102 -2.3801 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -2.9727 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 -3.2276 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5343 -1.9135 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3592 -0.3290 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1265 -1.8631 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -2.1749 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 0.4636 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 -1.3635 2.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6924 0.2714 3.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9252 1.8320 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2871 2.5580 2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 2.9444 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 1.6126 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 -0.7427 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 -0.2335 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3241 -2.1537 0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 -1.0259 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 0.3286 -0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 -1.2912 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -1.6245 2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -2.5595 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -1.9314 2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9874 -0.6243 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5007 0.8295 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8692 0.3588 -2.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5482 1.8357 -1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2197 0.6644 -2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5422 2.0936 -3.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9436 2.0500 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3427 3.3298 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4621 4.0027 -0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4395 3.6931 -2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4590 3.3660 -1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0037 2.3655 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2870 1.6620 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4642 1.3983 -1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7577 -0.6149 -2.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0389 -0.3817 -2.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2204 -0.1141 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2684 -2.0359 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7867 -2.7372 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4652 -2.4479 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7117 0.3378 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3853 -1.1022 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8734 -2.1049 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5173 -2.2615 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7347 -0.9493 -1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 1.1152 1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 0.0108 3.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2178 3.1044 2.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 1.2568 5.0435 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 37 39 1 0 39 40 1 0 24 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 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 1 25 77 1 0 25 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 45106 1 0 46107 1 0 M END