HMDB0300194 RDKit 3D DG(i-21:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 2.5802 -3.6573 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 -2.9496 3.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 -3.9919 4.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -1.8535 3.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1635 -0.8415 2.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 -0.1493 1.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 0.7028 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 1.2508 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7768 2.1978 3.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 2.6225 2.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7517 3.2674 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 3.6007 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0189 4.2051 -0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 3.2189 -1.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2716 3.7563 -3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 2.7507 -4.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 3.1757 -5.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 2.1163 -6.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 2.0389 -5.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 0.9352 -6.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8433 0.9745 -5.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 1.9547 -5.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -0.0353 -6.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0438 -0.0688 -5.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 0.0166 -4.3300 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6758 0.1175 -4.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8798 0.4275 -2.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 -0.9704 -3.5653 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -0.6786 -2.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 0.5386 -2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -1.7572 -1.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 -2.4376 -2.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -1.6541 -2.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 -0.9157 -1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -1.1884 -1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 -2.2506 -1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 -1.6779 -2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5551 -1.9256 -1.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8976 -2.8566 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6848 -2.1011 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 -1.9009 1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -2.4224 2.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4351 -1.2208 2.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -0.9657 3.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5824 -1.8609 4.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -2.3224 5.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 -1.1292 6.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 -1.6316 7.1809 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1526 -0.4455 7.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 -2.2396 6.3793 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -3.2144 0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6752 -3.5466 1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -4.7379 1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.5648 2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -3.6159 5.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -4.9702 3.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -4.1925 4.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.4307 4.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9424 -2.3304 3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -1.4116 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -0.1298 2.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 -0.8809 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1931 0.5248 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 0.1561 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 1.5324 3.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 0.3691 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 1.7497 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9611 1.7986 4.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 3.1088 3.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6993 1.7717 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5854 3.3552 3.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 4.2098 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 2.5956 0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 4.2739 1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6678 2.6480 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 4.2876 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 5.1757 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 3.0981 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 2.2294 -1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7126 4.6876 -3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2791 3.9292 -3.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 2.6807 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 1.7498 -3.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4761 3.2875 -5.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 4.1619 -5.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 1.1230 -6.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 2.3185 -7.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 1.7067 -4.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 2.9723 -5.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 1.1989 -7.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9564 -0.0393 -6.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 -0.9803 -6.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6702 0.7758 -6.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7677 0.9968 -3.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1871 -0.8295 -4.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 0.9555 -4.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4938 1.1923 -2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 -2.5558 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 -1.4566 -0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -2.9195 -3.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -3.3328 -1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 -2.2924 -3.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 -0.8838 -3.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 -0.0873 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 -0.5573 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -2.8705 -2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3836 -2.9549 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -0.9648 -3.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4331 -1.4396 -2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1253 -3.5074 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6659 -3.5899 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 -1.6690 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0758 -1.3030 2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5055 -3.0153 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -3.1314 2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 -0.5145 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6539 -0.0394 4.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0873 -2.7772 4.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2342 -1.3187 5.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -2.9328 5.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 -2.9421 6.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 -0.4098 5.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -0.5966 7.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8528 -2.3269 7.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 -0.1998 8.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -0.6267 7.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 0.4096 7.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -2.1231 6.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 15 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 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 0 24 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 27 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 1 49125 1 0 49126 1 0 49127 1 0 50128 1 0 M END