HMDB0266937 RDKit 3D PA(a-15:0/TXB2) 120120 0 0 0 0 0 0 0 0999 V2000 -13.1126 4.6978 -3.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1844 4.1984 -1.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0537 3.1757 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0498 2.6259 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9991 1.5910 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6156 2.0697 -0.0448 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2941 2.5278 -1.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6983 0.9636 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4564 -0.1166 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5469 -1.1941 0.1381 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8098 -1.5473 1.3988 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1503 -2.7856 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2988 -2.7017 2.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3912 -3.8205 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5531 -3.3352 -0.6749 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2316 -4.4222 -1.5221 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5146 -2.2856 -0.8906 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1294 -2.9714 -0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1723 -1.9062 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1959 -1.4584 -0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9646 -2.0301 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 -0.9892 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2097 0.1675 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 -0.1709 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 0.0605 2.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 -0.7624 0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -1.0875 0.8410 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0229 -0.4275 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 -0.7969 -0.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 -0.2902 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 0.4910 -1.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8073 -0.6737 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 -0.0370 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 -0.1975 1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 0.3433 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0681 -0.1064 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3766 0.5235 -1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5564 0.1729 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7792 0.8863 -1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0083 0.5644 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2510 1.2483 -0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0864 2.7574 -0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3301 3.4531 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7186 3.1810 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5622 4.6854 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 -2.5851 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 -3.2819 -0.1375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -4.9517 0.1095 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3838 -5.2250 1.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6002 -5.3086 -0.6878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 -5.8766 -0.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1164 5.0720 -3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7945 3.9337 -3.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4185 5.5746 -3.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1649 3.7143 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0315 5.0063 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1282 2.3732 -2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1139 3.7478 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9743 3.4450 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0368 2.1143 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1298 1.1795 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1772 0.7534 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3722 2.9214 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4130 2.2296 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1905 0.9729 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9545 -0.1404 -1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5126 -0.7298 0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3589 -3.1736 2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1032 -3.0494 2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3190 -4.4204 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5708 -4.5903 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5841 -3.0117 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5289 -4.9951 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6238 -1.8776 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1551 -3.6441 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9607 -3.5733 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -1.4315 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5578 -0.6411 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8838 -2.3286 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5309 -2.8992 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 -1.4985 2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1561 -0.6366 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 0.8058 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 0.8620 2.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.7178 1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 0.6729 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -0.7633 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 -0.4249 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -1.7795 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9161 1.0583 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -0.4740 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6046 0.2425 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7624 -1.3065 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6677 0.0139 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8285 1.4703 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 0.3869 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1494 -1.1743 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5358 0.0704 -2.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2403 1.6102 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4654 0.5377 0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7132 -0.9184 -0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5575 1.9693 -1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8703 0.5332 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8509 0.7483 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1838 -0.5421 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 0.8977 -1.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0721 0.9186 -0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2549 3.0513 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1354 4.1706 -2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0178 2.6759 -1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8389 4.0271 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4737 2.8405 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7090 2.7659 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9610 4.9901 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5698 5.1667 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9652 5.0326 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -2.8999 1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4433 -2.8686 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7606 -4.6884 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -6.3995 -1.2842 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 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 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 27 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 17 10 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 1 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 1 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 1 16 73 1 0 17 74 1 6 18 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 1 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 50119 1 0 51120 1 0 M END