HMDB0286448 RDKit 3D PC(PGJ2/18:1(9Z)) 138138 0 0 0 0 0 0 0 0999 V2000 3.4008 -4.9275 1.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 -5.1568 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1696 -3.7821 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 -3.9557 -1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 -2.7499 -1.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 -1.7060 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 -0.9867 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5398 0.1424 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7272 1.1233 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 2.4089 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0477 3.2344 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2368 3.9532 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 4.9571 0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 4.6927 2.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 3.7691 2.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 3.8192 4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 3.0425 4.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 1.5762 4.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1308 0.8692 5.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 0.9443 3.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.4212 3.3937 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3981 -1.0373 2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 -0.5878 0.9643 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 0.6572 0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 1.3901 1.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 1.2515 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 0.4854 -1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 1.1711 -3.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3652 2.5215 -3.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 2.9205 -4.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 2.0606 -4.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 2.1182 -4.5201 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3286 3.5257 -4.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0119 3.7293 -5.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 2.5118 -6.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 2.2997 -7.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 1.4240 -5.5180 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0545 1.0763 -4.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 -0.1632 -4.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 -0.4563 -4.1845 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7532 -0.9916 -5.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6808 -1.4050 -3.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0045 -1.7191 -2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 -2.6707 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9722 -3.0523 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6419 -1.8085 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -1.0580 3.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.5863 3.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -1.3377 3.8646 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0854 -1.3008 5.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 -2.9698 3.4002 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.5442 -0.6957 3.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9031 0.5294 3.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 0.9360 3.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7042 2.1896 3.6586 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7813 1.9196 4.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 3.0367 4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 2.9351 2.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6424 -5.9004 2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -4.2082 2.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3644 -4.5426 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -5.7456 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 -5.6716 1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 -3.4397 -0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8995 -3.0678 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -4.6004 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -4.6093 -0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -3.0280 -2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -2.2744 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -2.2180 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 -0.9833 -2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 -1.7140 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -0.7156 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 0.6097 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -0.3876 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1264 0.7254 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7436 3.0014 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 4.0005 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1892 2.5718 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1163 4.4315 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0682 3.2053 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 5.4352 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 5.8308 0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 4.2612 2.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 5.6643 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9611 2.7469 2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 4.1166 2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 4.8886 4.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 3.5007 4.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4715 3.3967 4.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 3.2423 5.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3865 -0.7873 4.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5081 -1.1241 2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 -2.1414 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6278 1.3623 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 2.2911 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.5094 -1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 0.4572 -1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 1.2703 -3.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 0.4655 -3.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 3.2630 -2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 3.9970 -3.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 1.0367 -4.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 2.4740 -5.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 1.7004 -3.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 4.3181 -3.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 4.6579 -6.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 0.6257 -6.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6675 1.8809 -4.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 -0.9905 -5.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 0.5126 -3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6667 -0.6790 -4.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0519 -0.9178 -2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -2.3728 -3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3725 -0.7611 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7419 -2.1528 -3.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0183 -2.1945 -0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 -3.5819 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6722 -3.5726 -1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6775 -3.6921 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5007 -1.4964 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0422 -1.9953 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8798 -0.9875 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 -2.1546 3.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 -0.9302 4.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 1.3190 3.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 0.3816 4.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 0.9558 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 0.1080 3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 1.5657 3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5025 1.1447 5.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0742 2.8770 5.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 2.5335 5.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9727 3.2810 3.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 3.9343 4.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0432 3.6782 2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4752 3.4684 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7842 2.2642 1.8156 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 2 0 18 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 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 21 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 37 32 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 1 22 93 1 0 22 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 1 33106 1 0 34107 1 0 37108 1 6 38109 1 0 39110 1 0 40111 1 1 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 51 -1 55 1 M END