HMDB0264026 RDKit 3D PA(PGJ2/18:2(9Z,12Z)) 119119 0 0 0 0 0 0 0 0999 V2000 16.5938 3.4536 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5603 3.5702 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8869 2.2275 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2090 1.7427 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5392 0.3864 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5309 0.5365 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2710 0.2734 -0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6864 -0.2082 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0675 -1.5414 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7894 -1.7618 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7969 -0.8000 0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6848 -0.5628 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0111 -1.8704 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 -1.6064 -1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2775 -2.9662 -1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.8301 -2.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0722 -1.9485 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -2.5005 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 -3.5782 -0.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 -1.7938 -0.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 -2.2461 0.8175 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5826 -2.6461 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 -1.7105 0.0863 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 -0.9446 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 -1.0250 -1.8319 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5936 0.0022 -1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4032 1.3136 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 1.3309 0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3659 1.0544 1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 0.8343 1.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 0.8040 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5868 1.8699 0.7549 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9935 3.1995 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6324 4.0759 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7097 3.3950 -0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6967 3.8628 -1.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4026 1.9220 -0.5135 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.6746 1.1668 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9917 0.1424 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3251 -0.5269 -0.8882 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4331 -0.6766 0.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3593 0.3853 -1.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7705 -0.0856 -1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2451 -0.2854 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6991 -0.7410 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5519 0.3034 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -1.3704 2.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 -1.2361 2.3556 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4964 -0.2314 3.7005 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1547 0.1424 4.2875 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -0.8915 4.8982 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2091 1.2054 3.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5355 3.9960 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2404 3.8602 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8440 2.3791 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0832 3.9068 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8373 4.3486 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1618 2.4188 -1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7004 1.5326 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8903 1.6769 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3871 2.4524 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3526 -0.2974 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2315 -0.0128 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9001 0.8941 -1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6258 0.4357 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9814 0.5081 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4459 -0.4103 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7503 -2.3051 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4675 -2.8018 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1697 0.1090 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2595 -1.3398 1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1091 -0.1727 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9865 0.2088 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6912 -2.6042 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -2.3568 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2902 -1.1166 -2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 -0.9400 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 -3.4160 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -3.6759 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.4227 -3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -3.8799 -2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4372 -0.9110 -2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 -1.9283 -2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 -3.2209 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -3.0263 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 -3.5736 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 0.2451 -2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5554 -0.4890 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4092 1.7300 -1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1304 2.0436 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 2.3542 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 0.6664 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9922 1.0165 2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1644 0.6328 2.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0261 -0.1656 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0687 0.9676 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1504 1.5208 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1648 3.4592 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4613 5.1340 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8262 1.6244 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3505 1.5194 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3332 -0.2084 -1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3656 -1.5292 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7879 -1.3240 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2975 1.4042 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1167 0.5019 -2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4730 0.6790 -1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9721 -1.0085 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1953 0.6431 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6636 -1.0973 0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7308 -1.7064 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0132 -0.9123 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1581 1.3185 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5659 0.2551 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6623 0.1426 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -1.9268 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 -0.4000 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 -1.8778 4.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 1.1351 3.3386 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 2 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 37 32 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 1 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 1 33 98 1 0 34 99 1 0 37100 1 6 38101 1 0 39102 1 0 40103 1 6 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 51118 1 0 52119 1 0 M END