HMDB0289457 RDKit 3D PC(P-16:0/PGJ2) 133133 0 0 0 0 0 0 0 0999 V2000 3.0414 4.7858 -1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 3.3029 -1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8794 2.7510 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 3.0125 0.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 2.5069 1.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 2.7677 3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 2.1123 3.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1947 0.5950 3.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 0.0077 4.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7257 0.1853 3.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -0.4447 2.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 -0.1082 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4414 -0.7870 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 -2.2550 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8277 -3.0041 -1.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -3.9417 -1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -4.3924 -1.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -4.3123 -0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 -3.1736 -0.6583 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7202 -3.5020 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 -4.6611 -0.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -4.9918 1.0479 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4254 -4.3497 0.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3905 -6.6763 1.1931 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.8491 -4.4323 2.6119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 -3.6709 3.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 -3.2014 4.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7198 -2.4029 5.0291 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.5213 -2.3021 6.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7298 -1.0688 4.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 -3.0195 4.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 -3.0089 -1.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3371 -1.7709 -2.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8801 -0.8336 -1.8819 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -1.4515 -3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.0378 -4.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 0.3380 -5.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 1.7330 -5.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 2.5179 -6.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 2.0870 -6.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6366 2.9448 -5.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5146 4.3572 -5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 4.9310 -5.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 4.0066 -5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9161 4.2918 -4.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0861 2.6518 -5.2831 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6656 1.9249 -4.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0687 1.4954 -3.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8343 0.7514 -1.9976 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8886 -0.5980 -2.2639 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 0.9793 -0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0582 2.4482 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 2.5860 0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 4.0407 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 4.1375 2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7574 4.9820 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4323 5.3123 -2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 5.2340 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 2.7869 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 3.1335 -2.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 1.6620 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8839 3.1937 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 2.6164 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4876 4.1326 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 3.0789 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.4528 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 2.5852 3.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 3.8778 3.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 2.4584 4.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 2.4754 3.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7303 0.1306 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4582 0.3757 4.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3131 -1.1147 4.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 0.3869 5.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 1.2849 3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5514 -0.2466 4.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 -1.5676 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9991 -0.2707 1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -0.4680 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 0.9861 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 -0.5360 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4237 -0.4082 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5497 -2.6538 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3286 -2.4649 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7661 -2.7138 -1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4332 -4.4216 -2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 -5.2505 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -4.4530 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 -2.2550 -0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -3.6653 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 -2.6290 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8541 -4.2435 3.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -2.7934 2.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 -4.1078 5.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -2.6033 4.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1628 -3.2784 6.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 -2.0809 7.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -1.4995 6.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -0.7124 4.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 -1.0636 3.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -0.4049 5.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 -4.0400 5.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3016 -2.9742 3.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7624 -2.4120 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -2.0492 -4.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -1.6293 -3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 0.6647 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 0.2325 -4.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 -0.2450 -6.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -0.1396 -5.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 2.1399 -5.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 3.5489 -6.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 1.0290 -6.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 2.3528 -7.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1421 2.8232 -4.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 4.8934 -5.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9436 5.9521 -6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 2.1566 -6.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 1.7089 -4.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0187 1.6651 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8603 1.2061 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8389 -0.8795 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5429 0.3704 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 0.6467 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1018 2.8196 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5113 3.0097 -1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8496 2.0090 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3106 2.1828 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2377 4.4825 1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6533 4.6054 0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1969 4.3800 3.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0263 3.1729 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 4.9446 2.7013 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 46 41 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 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 16 86 1 0 18 87 1 0 18 88 1 0 19 89 1 1 20 90 1 0 20 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 29 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 31104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 1 42116 1 0 43117 1 0 46118 1 6 47119 1 0 48120 1 0 49121 1 1 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M CHG 2 24 -1 28 1 M END