HMDB0266809 RDKit 3D PA(a-13:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 109108 0 0 0 0 0 0 0 0999 V2000 10.9495 -3.5447 0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6833 -2.9174 -0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5237 -1.4035 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 -0.9190 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0756 0.6052 -1.8130 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2248 1.2045 -1.3423 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6999 0.9606 -3.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1755 2.1264 -3.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8952 3.2028 -2.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 3.4691 -2.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6856 3.3332 -1.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2055 2.8780 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4959 1.6172 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 1.3981 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5287 2.3489 2.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2106 2.8231 2.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 2.5719 2.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 1.7098 0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 0.4992 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 -0.3261 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9023 -1.4927 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 -2.6286 0.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -1.4655 0.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 -2.5643 1.0376 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4474 -2.6137 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 -1.5243 0.3757 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -0.2242 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 0.0939 -0.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 0.8930 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3021 0.4374 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0795 -0.5665 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5399 0.0661 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 1.2758 -0.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6164 0.9990 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 -0.0010 -0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7207 -0.3113 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6230 -1.2945 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8329 -1.5175 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1109 -0.9701 -2.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1335 -0.8369 -3.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 -2.5119 2.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 -1.3709 2.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 -1.1883 4.2131 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2025 -2.0710 4.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 0.4534 4.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 -1.5446 5.3023 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3654 -4.5663 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6495 -2.9198 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9771 -3.6803 1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4835 -3.1197 -1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7164 -3.3428 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -1.2612 0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4063 -0.9416 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0859 -1.2482 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3456 -1.4344 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2679 0.7950 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9416 1.2546 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8465 0.2671 -4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9016 2.3656 -4.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4223 3.0926 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3858 4.1238 -2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0291 3.8070 -3.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 3.5402 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 2.6707 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0235 3.7037 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6416 0.8354 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3265 0.3527 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 3.1946 2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 1.8246 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 3.5279 3.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 3.0630 2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 2.3266 0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6433 1.4972 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -0.0701 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 0.8062 1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 0.3544 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -0.6061 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6478 -3.5407 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9752 -3.5909 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 -2.6002 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2598 1.4225 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 1.5868 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9771 1.2831 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9625 -0.0722 1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9664 -0.8918 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5405 -1.4716 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0725 -0.6646 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6445 0.3648 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8088 2.1251 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7461 1.6342 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4231 0.6114 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2328 1.9081 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6844 0.5409 -1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9390 -0.9110 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4466 -0.6363 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2880 0.6508 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1136 -2.2961 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4738 -0.6306 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3430 -2.4387 -0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4457 -1.7498 1.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6923 0.0156 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9218 -1.7157 -2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5771 -1.3618 -4.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0440 0.2127 -3.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1631 -1.3374 -3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8107 -2.5956 3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2923 -3.4119 2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 1.0121 4.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -0.8214 5.2703 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 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 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 1 6 57 1 0 7 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 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 1 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 45108 1 0 46109 1 0 M END