HMDB0263205 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/15:0) 118117 0 0 0 0 0 0 0 0999 V2000 15.3873 -2.3191 2.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5349 -1.1231 1.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0123 -1.1201 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1260 -2.3075 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9071 -2.3076 1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0999 -3.4558 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 -3.4678 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9731 -2.3653 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3204 -1.0039 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4161 -0.0110 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1859 -0.1355 -1.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 0.5995 -2.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 1.3853 -2.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9422 1.7604 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 1.3966 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2584 0.0841 -0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 2.3730 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 3.6599 -0.6662 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 1.8999 -1.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 2.9822 -2.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 3.3275 -0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9613 2.2659 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 1.0936 -0.8625 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 2.5257 0.6317 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8212 1.6541 1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 1.1387 0.2434 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5338 2.3267 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 1.9172 -1.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2098 3.2334 -2.0576 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1619 4.2520 -2.4223 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3347 3.8487 -0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0578 2.6859 -3.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 0.3054 0.7935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 -0.9683 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2304 -1.3406 -0.6325 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 -1.9245 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -1.3129 1.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7244 -0.1428 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5171 -0.5986 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2553 0.5679 -0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2449 1.2391 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4000 0.3661 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1832 -0.1501 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3341 -1.0352 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2321 -0.2587 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4531 -0.8714 1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5569 -1.3016 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3596 -2.3248 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8404 -3.6363 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1826 -2.3827 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9544 -2.0789 3.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8560 -3.2654 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1805 -0.2155 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7096 -0.9888 2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9013 -1.2037 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5294 -0.1629 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7758 -2.2143 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6747 -3.2301 0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3466 -2.5447 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4981 -1.3319 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6383 -4.4571 0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4552 -4.5146 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5628 -2.4492 -0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9999 -2.6158 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4805 -0.6799 1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 0.9764 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1177 -1.2072 -2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1689 0.2589 -2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 0.4691 -3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 1.8231 -2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 1.4019 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9389 2.9205 -0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 1.6673 1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 -0.0873 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8027 2.4594 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 3.8119 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1487 0.9884 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 1.6687 -2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 3.9032 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 2.7741 -2.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 3.7946 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 4.1731 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 2.2074 2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3268 0.7811 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 0.6211 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 3.0457 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 2.7654 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2236 4.8269 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 2.0431 -3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 -2.3736 -0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 -2.7834 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 -1.0223 2.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7257 -2.0727 2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 0.7028 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4029 0.2858 1.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7603 -0.9056 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1449 -1.4703 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7453 0.1490 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4837 1.2661 -0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6865 2.0959 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7454 1.6755 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0713 1.0838 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1430 -0.4286 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6109 0.6932 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5801 -0.7521 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8031 -1.8400 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7613 -1.5971 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4629 0.7667 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6203 0.0446 1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8590 -0.1055 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1604 -1.7122 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3813 -1.7190 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1144 -0.4006 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4044 -2.6124 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8337 -2.0148 -1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7726 -3.6748 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9878 -4.3707 -0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4967 -4.0658 0.7992 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 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 25 83 1 0 25 84 1 0 26 85 1 6 27 86 1 0 27 87 1 0 31 88 1 0 32 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 49118 1 0 M END