HMDB0266758 RDKit 3D PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/P-16:0) 115114 0 0 0 0 0 0 0 0999 V2000 -16.1390 0.0957 -0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0915 1.0345 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3753 1.6449 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0969 1.5188 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2393 0.7206 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2307 1.6103 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9603 1.5251 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1476 0.5838 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7241 -0.4593 -1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6171 -1.7513 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8444 -2.3623 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7705 -3.1956 -0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5065 -3.0317 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9832 -1.9637 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -1.8183 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1637 -0.7308 1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2795 -1.3118 2.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5245 0.3498 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 1.4532 1.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9316 1.1390 2.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 0.6550 1.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4557 -0.5560 1.4635 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3517 1.5280 1.4038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 1.3666 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 1.0793 -0.6082 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0762 -0.0415 -1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 -0.0244 -1.3267 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 -1.4511 -2.1407 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2701 -2.4463 -1.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -1.1082 -3.2835 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 -2.1545 -2.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 0.9218 -0.7988 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8696 -0.0681 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5545 0.1715 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 -0.7440 1.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 -2.0948 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4752 -2.0543 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8237 -1.4163 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6746 -1.4000 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1118 -0.6542 -1.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 0.7522 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5834 1.8882 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2756 2.2132 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3063 1.3808 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4912 1.0935 -0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5157 0.2428 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1136 0.8295 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8063 2.1268 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6671 -0.8275 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9674 -0.0965 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5851 0.6497 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5769 0.6154 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7415 1.8686 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9548 2.2598 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6188 2.0135 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8242 0.2941 0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9354 -0.1681 -0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6267 2.4537 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3687 2.3507 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2675 0.2186 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5530 1.2476 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2999 -0.1413 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1167 -2.4185 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4624 -1.6242 0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5581 -3.0799 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0535 -4.0319 -1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7839 -3.7087 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5982 -1.2502 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 -2.4913 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0453 -0.2808 1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 -2.0180 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 0.7978 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 -0.0549 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 2.2091 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 2.0250 1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 2.1243 2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 0.4927 3.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.6445 1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 2.3548 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 2.0061 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -0.1442 -2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 -1.0298 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 -1.9088 -3.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -2.9922 -2.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 -1.0659 -0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 1.2294 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7654 -0.8942 2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 -0.2963 2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 -2.6552 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 -2.7060 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -1.4101 -0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6084 -3.1060 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5977 -0.3323 0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3148 -1.8341 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6996 -2.5413 -1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7378 -1.2040 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9251 -0.7192 -2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2897 -1.2617 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2402 0.9986 -2.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7776 0.8547 -1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0064 2.8811 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 1.9247 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4626 2.3584 0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6505 3.3037 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7188 2.0089 1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9039 0.5181 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8972 2.0403 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0805 0.5520 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0864 -0.7652 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3470 0.0927 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8004 0.1170 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 0.9890 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5905 2.2260 1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1259 3.0148 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3238 2.2363 0.0277 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 26 82 1 0 30 83 1 0 31 84 1 0 33 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 48115 1 0 M END