HMDB0270440 RDKit 3D PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 135134 0 0 0 0 0 0 0 0999 V2000 -0.1586 -7.9433 -2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5384 -6.4970 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 -5.8326 -3.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 -4.7712 -3.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 -4.0640 -2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -2.6757 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 -2.1852 -1.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 -2.9119 -0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -2.8762 -1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8764 -2.3497 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 -1.7177 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0765 -2.4786 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8877 -2.9807 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6716 -2.9264 2.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 -4.2462 3.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -4.5688 2.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -3.6377 2.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2709 -3.6021 3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4941 -3.9371 3.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 -4.3535 1.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -3.4993 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 -2.0785 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0953 -1.3861 1.4359 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 -1.2935 1.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 0.1409 1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 0.8991 1.4577 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0897 0.6106 2.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5857 0.7989 3.8473 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 0.4725 5.1949 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1760 -0.7800 4.8827 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4593 1.7692 5.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4781 0.2249 6.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -0.8843 7.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7738 -1.1209 8.5660 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2413 -2.2475 9.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 -1.3127 8.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -2.4021 7.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 0.6946 0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 1.7941 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2262 2.9053 -0.1803 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 1.7003 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 3.0885 -2.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 2.8922 -3.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0094 4.1708 -4.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 4.7283 -4.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 4.1462 -4.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3939 4.7816 -3.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 5.8891 -2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 6.9442 -2.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9806 7.1909 -1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 7.1257 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 6.7883 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6244 7.9166 -1.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 7.7477 -1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 6.4545 -0.8911 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5904 6.1405 0.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 6.5034 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 5.2322 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 5.3980 -0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 5.6388 -1.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -7.9862 -1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -8.4001 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 -8.4568 -3.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -6.5876 -3.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8174 -6.0122 -1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -6.2602 -4.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 -4.3637 -4.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0883 -4.0820 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 -4.6501 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2492 -2.0231 -2.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7345 -1.1322 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -2.3748 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 -3.9397 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 -3.3163 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 -2.3621 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 -1.4721 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 -0.7151 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0510 -2.5912 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7661 -3.5410 2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -2.5787 3.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0029 -2.1265 2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8295 -4.9991 3.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 -5.5913 3.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4818 -3.8984 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -2.6354 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -3.2730 4.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 -3.9175 3.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4103 -5.3935 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 -4.5204 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4624 -3.8195 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -3.7573 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5942 0.3094 2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 0.4042 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 1.9876 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 1.2200 2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3949 -0.4490 2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0878 2.3461 6.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -1.7988 6.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -0.6460 7.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -0.2540 9.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 -2.3353 10.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.3746 7.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -1.4351 9.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 -2.1890 6.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9702 1.2678 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3881 1.1116 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 3.5752 -2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 3.7131 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 2.3483 -3.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 2.1529 -4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 4.6782 -4.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1206 5.6749 -5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9945 4.0754 -5.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3696 3.0365 -4.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3441 4.1510 -3.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 6.1222 -2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9118 7.9134 -3.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 6.7756 -3.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7826 7.4580 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 7.3274 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8003 6.3955 -2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 5.9436 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9516 8.8722 -2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 8.5956 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 5.6575 -1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 5.3482 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9217 6.5775 -1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 7.3502 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 5.0824 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 4.3437 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2855 4.4877 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 6.2368 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2074 5.3006 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0142 6.6792 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4645 4.9984 -2.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 31 97 1 0 33 98 1 0 33 99 1 0 34100 1 1 35101 1 0 36102 1 0 36103 1 0 37104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 54124 1 0 55125 1 6 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 60135 1 0 M END