HMDB0262770 RDKit 3D PA(12:0/PGE2) 108108 0 0 0 0 0 0 0 0999 V2000 -12.0739 4.4108 2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1374 4.2312 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9439 2.7549 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6029 2.3083 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3727 0.8693 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3834 0.4741 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4067 1.1112 -1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9663 1.0502 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2452 -0.2305 -1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6277 -1.1092 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7714 -2.3948 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3575 -1.9605 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6644 -1.8333 -1.5248 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8259 -1.7012 0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4776 -1.2927 0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 -2.3603 0.4166 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6931 -3.5479 1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 -4.5578 0.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 -5.9108 1.9335 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7283 -5.8973 2.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -5.8298 2.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -7.3248 1.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -1.9723 0.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 -2.0977 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8968 -2.5552 -1.6631 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0821 -1.7084 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 -2.9145 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 -2.7325 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 -1.6784 0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 -0.6610 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -0.5002 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3652 -0.4839 -1.2810 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5963 -0.3219 -2.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5986 -1.2548 -3.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8109 1.1186 -3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9114 1.7622 -1.6516 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7473 2.5038 -1.3571 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 0.6592 -0.6696 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5351 0.2206 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 0.7674 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9239 0.1982 -0.9714 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8183 0.9061 -1.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4111 0.2604 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5658 1.5993 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3395 2.4331 1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6923 3.7729 1.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3827 4.5363 1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0686 4.7260 2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3576 3.4456 2.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7857 5.2103 2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3138 4.8026 0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1372 4.5598 0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7340 2.1269 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9683 2.6524 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5094 2.4536 1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8463 2.9681 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2484 0.3166 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4980 0.4620 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4153 0.8540 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5192 -0.6243 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5784 0.6366 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7461 2.1852 -2.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4502 1.6686 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6559 1.6588 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1278 -0.0328 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3743 -0.7436 -2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4073 -0.6011 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6441 -1.4584 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9911 -3.0110 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9663 -2.8813 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2617 -0.3353 0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -1.1367 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 -2.7073 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 -3.2478 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7479 -3.8571 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 -6.2785 3.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 -7.0514 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.4889 -1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -0.8227 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 -3.2051 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 -3.7678 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 -3.7099 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 -2.7708 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -1.7564 1.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8338 0.1214 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 0.5488 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -1.1364 -1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 -1.4377 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 1.2298 -3.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 1.5588 -3.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7268 2.4959 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 3.0467 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 0.9229 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7889 -0.6747 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4055 1.6367 -1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9694 -0.8583 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7994 0.5207 -2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4093 -0.2686 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6779 -0.3273 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4119 2.1771 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9399 1.4135 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6385 1.9474 1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8536 2.6825 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0703 3.4935 2.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4174 4.3201 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5903 3.9317 2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1261 4.8045 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5269 5.4958 2.4993 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 19 22 1 0 16 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 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 38 32 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 15 71 1 0 15 72 1 0 16 73 1 6 17 74 1 0 17 75 1 0 21 76 1 0 22 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 1 35 89 1 0 35 90 1 0 36 91 1 6 37 92 1 0 38 93 1 1 39 94 1 0 40 95 1 0 41 96 1 6 42 97 1 0 43 98 1 0 43 99 1 0 44100 1 0 44101 1 0 45102 1 0 45103 1 0 46104 1 0 46105 1 0 47106 1 0 47107 1 0 47108 1 0 M END