HMDB0008578 RDKit 3D PC(22:1(13Z)/22:1(13Z)) 162161 0 0 0 0 0 0 0 0999 V2000 4.6241 -1.5022 -8.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 -0.3533 -7.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4454 -0.4362 -6.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 -1.7242 -5.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 -1.7913 -4.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -2.9274 -4.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -3.3811 -4.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 -3.8694 -5.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 -4.3893 -6.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2467 -4.0194 -6.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 -2.9676 -7.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1976 -1.9008 -7.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 -0.8638 -8.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 0.0659 -8.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9561 1.0005 -7.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 1.9474 -7.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 2.9847 -6.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 2.5448 -5.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 1.7161 -4.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 1.3987 -3.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0018 0.6312 -2.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 0.3873 -1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 0.0038 -0.8243 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0366 0.5695 -0.4885 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.3728 0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3789 0.6328 1.5220 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1862 0.4937 3.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 0.7273 3.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0444 0.5494 5.3909 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3116 -0.7859 5.5532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1126 1.8088 5.9930 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4673 0.4470 6.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 -0.0810 7.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4336 -0.2080 8.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -1.0460 7.8958 N 0 0 0 0 0 4 0 0 0 0 0 0 6.3723 -0.3400 7.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 -2.2619 7.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 -1.4995 9.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 1.9439 1.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 2.0300 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 0.9165 0.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 3.2055 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9592 4.5261 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 5.0790 1.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 6.4385 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 6.3731 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 5.6271 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 5.5585 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3932 4.9334 2.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0195 3.5525 2.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0106 3.0853 3.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6504 1.6999 4.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6219 1.3262 5.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3952 0.2627 5.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4214 -0.7298 4.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0727 -2.1176 4.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0621 -2.5340 5.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4793 -2.5993 5.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6242 -3.6074 4.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0431 -3.6710 3.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0807 -4.7190 2.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1356 -4.3141 1.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 -2.2978 -8.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -1.1162 -9.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 -1.8922 -7.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 0.5847 -7.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 -0.3344 -8.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 0.3973 -5.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -0.4681 -5.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6924 -1.4997 -6.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 -2.5476 -6.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -1.7161 -3.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7193 -0.8381 -4.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -3.8442 -4.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4909 -2.8794 -2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 -4.2571 -3.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 -2.6320 -4.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -3.1653 -6.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6935 -4.7999 -5.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -5.2081 -5.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2259 -4.5369 -6.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0985 -2.4910 -7.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 -3.4319 -8.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1879 -2.3849 -7.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 -1.4823 -6.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0289 -0.2742 -8.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 -1.4267 -9.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.5056 -8.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 0.6601 -9.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 1.6145 -7.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 0.4309 -6.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 2.4880 -8.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 1.3894 -7.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 3.7531 -6.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 3.5769 -6.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 1.9798 -4.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 3.4627 -4.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 2.2715 -4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4493 0.7911 -5.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 0.8919 -2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 2.4139 -2.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 1.2532 -2.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -0.2811 -3.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 0.9405 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -0.7093 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0291 -0.1327 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4959 1.3400 3.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 -0.4851 3.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 0.5734 8.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -1.0614 7.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8572 0.8080 8.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 -0.5615 9.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8501 0.4953 6.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8086 -0.9859 6.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2253 0.0871 7.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 -2.7347 6.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -2.9847 8.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -2.0702 6.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7193 -2.2080 9.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7135 -0.6635 9.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1458 -2.0619 8.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 3.0507 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 3.2474 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 4.5934 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 5.2607 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 5.2987 1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 4.4906 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 6.9909 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 7.0906 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 5.9767 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 7.4432 0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0013 6.2141 2.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3361 4.6365 2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 6.5575 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 4.9882 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 5.6454 3.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 4.8635 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 2.8899 1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 3.5485 3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9733 3.7861 4.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0346 3.0625 3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6616 1.0230 3.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6483 1.7888 4.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7416 1.9550 6.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0888 0.1105 6.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -0.8179 4.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -0.4708 3.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0096 -2.8711 4.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0902 -1.9900 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7428 -3.5628 6.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9689 -1.8681 6.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0947 -3.0204 6.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9148 -1.6235 5.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9787 -3.3088 3.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3374 -4.6131 4.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3240 -2.6924 3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7634 -3.9676 4.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1126 -4.8522 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7320 -5.7098 3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0869 -4.5980 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3971 -4.8247 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1802 -3.2214 1.4447 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 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 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 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 25104 1 0 25105 1 0 26106 1 6 27107 1 0 27108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 36113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 38121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 54145 1 0 55146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 62162 1 0 M CHG 2 31 -1 35 1 M END