HMDB0262709 RDKit 3D PA(10:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 98 97 0 0 0 0 0 0 0 0999 V2000 14.8785 0.2178 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 0.0656 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5354 -0.1182 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6021 0.7144 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6628 1.9160 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7395 1.7799 1.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6941 2.5682 1.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 3.6398 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2406 3.7483 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2299 3.0078 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 1.7857 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8886 0.7280 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 0.0612 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 0.1739 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 0.2651 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 0.4123 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 0.4258 1.7969 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.7921 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 -2.0432 0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 -3.3107 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3339 -3.2191 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 -3.7680 1.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 -2.4333 -0.4399 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4785 -2.2279 -0.2367 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4154 -2.7676 -1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -2.4726 -0.8714 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3006 -1.2049 -1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5387 -0.4380 -1.8618 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6396 -0.7520 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8066 -0.9405 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1764 -0.4066 1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2966 -0.9441 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5828 -0.3508 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7454 -0.7101 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0011 -0.0227 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1530 -0.2745 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4060 0.3706 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 -0.9315 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4961 0.2635 -0.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2335 1.4947 0.8221 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4012 2.7115 0.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 0.9365 2.3626 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7094 1.8579 0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 1.0964 -2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7024 -0.6729 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9145 0.1620 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2322 -0.9095 0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0647 0.8225 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3764 -0.9791 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6141 0.4864 -1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5876 2.8106 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7065 2.0565 0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9126 0.9325 2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1085 2.4272 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3234 4.6431 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3445 3.9366 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 4.6543 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4574 3.2929 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6313 1.4659 1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9548 1.9378 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 0.5164 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1567 -0.7230 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -0.6818 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 1.1309 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 1.3362 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 -0.2735 2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 -0.7860 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 -0.6073 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -1.9753 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 -2.1678 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -4.1773 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2553 -3.5499 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6922 -2.9599 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2074 -2.2146 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3563 -3.8291 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7503 0.3281 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4672 -1.3228 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6166 -1.9239 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0623 -0.2069 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3344 -0.7575 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1256 0.7149 1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2948 -2.0393 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1829 -0.6928 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7503 -0.7328 1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5027 0.7756 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5460 -0.3486 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9114 -1.8090 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7166 1.0752 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2163 -0.3993 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9703 0.2579 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3181 -1.3212 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1100 0.6866 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0334 1.2250 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9352 -0.3451 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9044 -0.8947 0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 -0.8669 1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 0.0722 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5282 2.3081 -0.7930 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 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 24 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 1 25 74 1 0 25 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 42 97 1 0 43 98 1 0 M END