HMDB0263805 RDKit 3D PA(18:1(9Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 122121 0 0 0 0 0 0 0 0999 V2000 15.0950 1.9920 1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7039 0.5932 2.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0102 -0.1492 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8987 -0.2514 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1882 -1.0082 -1.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9957 -0.2443 -1.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7859 -0.7190 -1.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4916 -2.0442 -1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2649 -2.5130 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1028 -1.6831 -1.4280 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1826 -1.0297 -2.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8416 -0.7536 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7137 0.1378 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6344 0.1635 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3126 -0.6233 1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0476 -1.3953 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4462 -1.3128 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 -2.0438 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 -2.8569 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3885 -3.5212 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3633 -2.4479 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -2.7966 -0.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -1.1320 0.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2391 -0.0275 0.1911 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3206 0.8446 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 2.0079 -1.1864 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 2.1823 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3357 1.1324 -1.6046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1771 3.5463 -1.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 3.5678 -1.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 3.1489 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7778 3.1890 -0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 2.3218 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2115 0.8566 -1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5365 0.2644 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7796 0.0744 0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0073 0.2309 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5167 0.7111 -1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4843 -0.3966 -1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6228 -0.6095 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4565 0.6053 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5486 0.3110 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4125 -0.7976 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5202 -1.0465 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3744 -2.1665 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4672 0.6696 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -0.2661 2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 0.5006 3.8236 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5199 1.4440 3.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 1.4799 4.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -0.5630 5.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1957 2.1870 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6003 2.7143 2.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7929 2.2952 0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6135 0.0295 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0376 0.6107 3.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0628 0.3969 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7156 -1.1497 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0841 0.7805 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8616 -0.6922 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 -1.0337 -2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0671 -2.0292 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1553 0.8093 -2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -0.0200 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2878 -2.7348 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0689 -3.5376 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 -2.3518 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2941 -1.0124 -3.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7332 -0.1755 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6235 -1.4464 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 0.8205 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 0.9132 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1187 -1.2623 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0802 0.1264 2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 -2.0207 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8711 -0.6914 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4726 -2.7451 -1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -1.3022 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5751 -2.1594 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 -3.6152 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -4.1766 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 -4.1977 -0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 -0.4638 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4681 0.1553 -1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 1.0921 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 4.2439 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 3.9207 -2.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9177 2.8554 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0321 4.5511 -2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9665 3.9089 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8601 2.2080 -0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0897 4.2521 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1117 3.0328 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0586 2.5718 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5202 2.6034 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6437 0.2995 -2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0862 0.7097 -1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8013 0.8278 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9213 -0.7462 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6670 -0.3328 1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8076 -0.0134 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1153 1.6214 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8004 0.7900 -1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8157 -0.1664 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8727 -1.3162 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3001 -1.3541 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3340 -1.1268 0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8692 0.9407 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9047 1.4834 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1216 1.2588 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0688 0.0236 1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8072 -0.5428 -0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8077 -1.7397 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9647 -1.3783 2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0549 -0.1104 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7330 -3.0804 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2740 -2.3381 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6406 -1.9142 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 1.5075 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 1.0759 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7952 1.0879 3.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 -1.3044 5.1671 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 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 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 2 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 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 6 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 6 25 84 1 0 25 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 50121 1 0 51122 1 0 M END