HMDB0011323 RDKit 3D PC(P-18:1(9Z)/22:1(13Z)) 149148 0 0 0 0 0 0 0 0999 V2000 9.6111 8.3982 4.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9536 7.5446 3.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8333 6.3544 3.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 5.3959 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9187 4.8501 2.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 3.8818 1.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 3.3039 1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6744 2.5288 2.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6427 3.1627 4.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 3.2695 5.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 2.7798 4.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2946 3.9700 4.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 5.0089 3.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 4.3269 2.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6152 5.2840 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 4.7124 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 3.4905 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 2.3457 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 2.4412 -0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 2.6652 -1.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.5969 -2.9736 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5441 2.0399 -4.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 2.1732 -3.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 2.6585 -4.9650 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0809 2.4973 -6.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 4.2505 -4.7476 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.1988 1.6144 -5.0081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 0.4754 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9387 -0.5283 -5.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5486 -1.7061 -6.5266 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1041 -1.9092 -6.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8867 -1.6376 -7.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1992 -2.8786 -5.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 0.3684 -2.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -0.8504 -2.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 -0.8791 -3.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1209 -2.0764 -2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 -3.3442 -2.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1896 -4.4593 -1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 -5.8098 -1.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 -6.8338 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4716 -6.5120 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3326 -7.3512 1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 -7.2468 0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 -5.7960 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 -5.0696 2.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -3.6018 1.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -3.4801 1.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7137 -2.7411 2.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2651 -1.9642 3.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -2.3640 4.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6013 -1.6667 5.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2559 -1.8292 6.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 -1.4421 5.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9969 0.0066 5.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 0.3150 4.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 1.7800 4.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5722 7.9432 4.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7405 9.4454 4.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9262 8.3990 5.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9822 7.2124 3.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9013 8.1698 2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 6.7438 2.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0478 5.8204 4.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0162 4.5604 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1889 5.8880 1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2093 4.2707 3.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 5.6555 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1562 3.0735 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3623 4.4628 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 4.1087 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9034 2.5961 0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4441 1.6772 3.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 1.9544 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5617 3.5877 4.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6316 3.7823 6.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 2.1369 5.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 2.1696 3.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 3.6064 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 4.4387 5.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6366 5.3544 3.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 5.8697 3.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 4.0987 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 3.4211 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 5.7197 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 6.1599 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 5.5077 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 4.5518 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 3.5145 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0195 1.4795 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 2.7884 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 3.6406 -2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 1.5452 -3.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1503 3.0221 -4.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 1.3054 -4.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 0.7993 -6.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9212 0.0286 -5.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2727 -0.8403 -4.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7939 -0.0358 -6.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -2.0665 -5.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 -1.0621 -6.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8712 -2.7968 -7.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6865 -0.6475 -8.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -2.3655 -8.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 -1.9501 -8.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6223 -3.7858 -6.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -2.8894 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2405 -2.9150 -6.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -1.9634 -0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -2.1782 -2.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6884 -3.5453 -3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 -3.3267 -1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -4.4734 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 -4.1311 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 -6.1141 -2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -5.8179 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 -6.8637 -1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 -7.8420 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 -5.4467 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 -6.7460 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 -7.0662 2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -8.4183 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 -7.7897 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 -7.6391 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 -5.3019 0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2889 -5.7809 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 -5.1130 2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7153 -5.5039 2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 -3.0809 2.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 -3.2746 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2423 -4.0399 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7725 -2.6705 2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6973 -0.8980 3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2093 -1.7771 3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0858 -2.2240 4.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9084 -3.4787 4.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9219 -0.5731 5.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -2.0522 6.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2128 -1.4030 7.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 -2.9526 6.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1981 -1.5000 6.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 -2.1711 5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.5988 6.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 0.3148 4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 0.1420 5.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -0.3076 3.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6642 2.0874 3.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 2.3742 5.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 2.0049 3.3760 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 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 0 35 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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 20 91 1 0 20 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 31100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 33108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 57149 1 0 M CHG 2 26 -1 30 1 M END