HMDB0285628 RDKit 3D PC(14:0/5-iso PGF2VI) 127127 0 0 0 0 0 0 0 0999 V2000 -7.4417 2.5999 1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0059 4.0207 1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0422 4.0789 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6386 5.4206 -0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 5.8243 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1989 4.8360 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 5.3302 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 4.3974 -1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 3.0166 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8384 2.0431 -0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 2.4731 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 1.4094 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9488 1.7382 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8669 0.5966 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 0.6237 -1.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0759 -0.4357 0.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 -1.5947 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 -2.7490 -0.6077 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8099 -2.7532 -1.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 -1.9578 -2.9119 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 -2.2230 -4.4093 P 0 0 0 0 0 5 0 0 0 0 0 0 4.4724 -3.5881 -4.8971 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6063 -2.3484 -4.1047 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5746 -1.0649 -5.5462 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4277 -0.3870 -5.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 0.6460 -6.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 1.4075 -5.9731 N 0 0 0 0 0 4 0 0 0 0 0 0 2.3037 2.5245 -5.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 0.6454 -5.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 1.9986 -7.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9942 -3.0240 -0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 -4.1448 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2223 -5.0567 0.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 -4.2783 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 -5.5400 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -5.6450 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4691 -4.4939 2.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 -4.6379 4.3613 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3971 -5.8421 5.0929 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6251 -6.5854 5.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3814 -5.3133 6.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -3.7986 5.8572 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7170 -3.1375 7.0324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -3.4922 5.2660 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0369 -2.1826 4.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 -1.2907 4.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 0.0433 3.8752 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6712 0.2245 3.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3507 1.1469 4.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 2.4704 4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2383 2.9090 3.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 4.3042 3.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 4.8168 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6241 1.9458 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3599 2.3194 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5533 2.4899 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0134 4.1711 1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6957 4.7617 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0978 3.9204 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 3.2391 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8012 5.4241 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3227 6.1789 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 5.9768 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0343 6.7870 -1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 3.8882 -0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1738 4.7701 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 5.4947 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 6.3068 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 4.3297 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 4.8048 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 2.5950 -0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9876 3.0169 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8251 1.9585 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0627 1.0665 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 2.5840 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 3.4495 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 0.4592 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 1.3401 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3007 2.6222 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 1.9904 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -1.3415 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 -1.9227 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9387 -3.6984 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 -2.3937 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9468 -3.8162 -2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -1.1121 -5.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 0.1476 -4.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 1.3512 -6.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 0.1731 -7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 2.1600 -4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 2.9571 -5.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 3.2717 -5.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -0.3491 -5.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0941 1.1570 -5.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 0.4965 -4.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 2.1902 -7.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 1.3239 -8.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 2.9947 -7.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7027 -3.4111 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -4.0719 -0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -6.4712 0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -6.6638 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 -4.6297 3.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4016 -3.5110 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 -4.7500 4.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 -6.4873 4.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 -7.5404 5.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 -5.7983 5.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -5.4958 7.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -3.6351 5.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -2.5327 7.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -3.5916 6.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 -1.8538 4.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -1.4754 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 0.0542 2.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 0.2312 4.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8569 1.2413 5.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 0.9745 4.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 3.2929 4.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 2.3663 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 3.0348 4.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 2.3104 3.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3664 4.9719 3.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3807 4.2660 2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 4.8991 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 4.1617 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 5.8473 3.2327 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 44 38 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 17 81 1 0 17 82 1 0 18 83 1 1 19 84 1 0 19 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 28 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 6 39106 1 6 40107 1 0 41108 1 0 41109 1 0 42110 1 6 43111 1 0 44112 1 1 45113 1 0 46114 1 0 47115 1 6 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M CHG 2 23 -1 27 1 M END