HMDB0266988 RDKit 3D PA(18:3(10,12,15)-OH(9)/a-15:0) 111110 0 0 0 0 0 0 0 0999 V2000 13.5394 -1.6346 -2.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5209 -1.0201 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7188 -0.4323 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9028 -0.8561 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1045 -0.2748 2.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1578 0.7662 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8553 0.6339 1.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8888 1.6243 1.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6105 1.3866 1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5966 2.3540 1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1324 3.6482 1.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2817 2.0550 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7651 0.6571 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 0.4211 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 -1.0178 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 -1.4398 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.7182 -1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 -0.8588 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 -0.1557 -1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 0.4429 -2.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -0.1322 -1.4945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 0.5355 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 0.4313 -1.6077 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3174 1.1425 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 0.5763 0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3225 1.2982 2.0842 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8300 0.2483 3.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 2.6866 2.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8924 1.7279 2.5849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 -0.9058 -1.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7565 -1.5833 -1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4942 -0.9409 -2.7963 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -3.0067 -1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 -3.3833 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6664 -3.0349 0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1826 -1.7504 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4991 -0.6731 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4744 -1.0419 -1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8152 -1.4982 -0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4972 -0.3653 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8252 -0.9092 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6071 0.0221 1.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9775 1.3486 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7584 1.1999 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0131 2.4584 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6958 3.6839 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7026 -0.9057 -2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0388 -1.7979 -3.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1696 -2.5921 -1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0985 -0.2497 -1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2140 -1.7913 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 0.3407 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6158 -1.6156 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5781 -1.0603 2.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8078 0.2236 3.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5580 1.6216 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5281 -0.2620 2.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2729 2.4958 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3246 0.4818 2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6702 2.2921 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7936 3.7377 1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2215 2.1918 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4804 2.7583 -0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 -0.0969 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5781 0.3959 -1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 1.1395 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 0.5957 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -1.2781 0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 -1.6380 0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 -1.4031 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 -2.5234 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 0.3596 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 -1.1798 -2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -1.9506 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3749 -0.4624 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 0.1129 -3.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 1.6168 -2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 0.9230 -2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 2.2442 -0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 0.9989 0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 2.7448 2.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 1.8419 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -3.4691 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5419 -3.5138 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 -3.1788 0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3854 -4.5451 -0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -3.6051 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6598 -3.6637 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1555 -1.9401 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5643 -1.2816 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6513 -0.0647 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0741 0.1426 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0414 -1.7024 -2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6754 -0.0736 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7831 -2.3526 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4321 -1.7656 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 -0.1288 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5897 0.4779 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5887 -1.8580 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4127 -1.2944 -0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5708 -0.4936 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1112 0.1999 2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8143 1.7049 1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5387 1.9829 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0670 1.1259 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3006 0.2339 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0429 2.3495 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8849 2.7467 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8739 3.5357 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9751 4.5233 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5991 3.8827 0.7190 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 1 0 26 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 1 0 31 32 2 0 31 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 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 0 22 77 1 0 23 78 1 6 24 79 1 0 24 80 1 0 28 81 1 0 29 82 1 0 33 83 1 0 33 84 1 0 34 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 44104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 46111 1 0 M END