HMDB0286094 RDKit 3D PC(PGD1/16:1(9Z)) 137137 0 0 0 0 0 0 0 0999 V2000 -8.3283 1.3189 -7.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5316 2.6011 -7.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0704 2.2040 -7.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2146 3.4394 -7.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7685 3.1309 -7.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5589 2.4569 -6.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0374 3.3135 -4.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2947 3.7625 -3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 3.4956 -3.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7101 2.7823 -2.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 2.4305 -2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3686 1.5363 -3.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 1.2269 -2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 2.4257 -2.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0433 2.0428 -2.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0233 1.3478 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 0.2099 -0.5468 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5718 1.9156 0.4631 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 1.2191 1.6729 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6705 1.9880 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3838 2.2121 2.1564 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 2.8475 2.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6408 3.1991 4.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 3.0386 2.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1465 3.2119 2.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6725 2.0703 3.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 1.5284 4.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3556 0.3667 5.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 -0.7679 4.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -1.9216 5.4311 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6440 -1.4829 6.1582 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6582 -1.1575 5.2637 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 -2.8602 6.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 -3.6618 5.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5071 -4.6720 5.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 -3.0093 4.5878 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9443 -3.9827 4.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 -4.2490 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 -5.2458 2.2948 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3677 -6.4910 2.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 -4.8547 1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -3.5996 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -2.3221 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -2.0672 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1729 -1.9866 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8749 0.8741 2.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 0.0849 1.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0574 -0.4048 1.7532 P 0 0 0 0 0 5 0 0 0 0 0 0 7.9871 -0.9296 3.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1005 0.9078 1.5890 O 0 0 0 0 0 1 0 0 0 0 0 0 8.5146 -1.6205 0.6667 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 -2.4977 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9683 -3.5364 -0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9728 -4.5153 -0.9184 N 0 0 0 0 0 4 0 0 0 0 0 0 6.9781 -5.6676 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 -3.8933 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2453 -4.9632 -2.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7482 0.4871 -8.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5829 1.1081 -6.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2945 1.4912 -8.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6250 3.0726 -8.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8803 3.3247 -7.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9927 1.7043 -6.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7614 1.5165 -8.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3184 3.9673 -8.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5902 4.2001 -6.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1651 4.0776 -7.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4077 2.4370 -8.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1071 1.4826 -6.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 2.2050 -5.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1288 3.5870 -4.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7769 4.3992 -3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 2.9452 -4.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 4.5122 -3.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 1.8996 -2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 3.4838 -1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 1.8859 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3059 3.3530 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 0.5529 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 1.9944 -4.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 0.6431 -1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 0.5030 -3.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 3.1453 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7811 2.8776 -3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 1.3308 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 2.9233 -1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 0.2560 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 2.9684 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 1.4496 3.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 3.9873 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 2.2575 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 3.5321 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 4.1428 3.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 2.3473 4.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0255 1.2856 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 2.3126 5.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1316 1.0698 4.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 0.8031 6.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 0.0697 6.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3847 -0.4217 3.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 -1.1548 4.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -2.3456 6.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4451 -0.7451 6.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3849 -1.7975 5.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3752 -3.1775 7.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1234 -2.8805 6.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5163 -2.5214 3.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 -4.5489 4.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -3.7204 2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 -5.4549 3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 -6.8536 2.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -5.7498 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -4.8686 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 -3.5306 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 -3.6357 1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -1.5006 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 -2.1923 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 -2.7838 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4152 -1.0567 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7782 -1.5045 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 -3.0098 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 -1.4264 -1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7082 0.2930 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4396 1.7878 2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0865 -2.9583 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6746 -1.9166 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8629 -3.9880 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3216 -3.0574 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9683 -5.9101 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2182 -5.5174 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6216 -6.5466 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -3.0368 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -3.6042 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9025 -4.6058 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3362 -4.8130 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9683 -6.0060 -2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6844 -4.3059 -2.9949 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 2 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 1 0 16 17 2 0 16 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 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 19 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 36 30 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 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 15 86 1 0 19 87 1 6 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 1 31103 1 1 32104 1 0 33105 1 0 33106 1 0 36107 1 6 37108 1 0 38109 1 0 39110 1 1 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 55129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 50 -1 54 1 M END