HMDB0300528 RDKit 3D DG(i-22:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 131130 0 0 0 0 0 0 0 0999 V2000 17.9791 -1.3213 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2551 -0.9090 -1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5747 0.4709 -0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1616 0.7872 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5700 -0.1491 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9691 0.1284 2.5379 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3683 1.4530 2.8885 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5740 -0.0231 2.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5106 0.1467 2.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1541 -0.0765 2.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0913 0.1032 1.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7464 -0.1111 2.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6801 0.0473 1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7773 0.4470 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6783 0.5919 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3601 0.3358 0.0448 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4338 0.1060 -1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8345 1.5119 0.7899 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7371 2.6464 -0.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4469 1.1931 1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 0.0387 2.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1111 -0.2636 2.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0557 -0.6354 1.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 -0.5909 0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 -1.0680 2.3933 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -1.4462 1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.4028 0.8266 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8729 0.1778 -0.0914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 0.6502 1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 1.5216 0.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 1.0917 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 -0.1125 0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 2.0282 -0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5543 1.3276 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 0.4283 -2.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 -0.3081 -3.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8982 -1.3232 -2.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -0.9737 -1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8616 0.1450 -2.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8803 0.4548 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7643 -0.7163 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8036 -0.4121 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7487 0.6837 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5373 0.4110 -1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4717 1.5602 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2646 1.3442 -2.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0844 0.0890 -2.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0382 0.1576 -1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8595 -1.1186 -1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7841 -1.0257 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0898 -0.8433 1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1395 -1.9550 1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1541 -0.8239 2.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6462 -2.3594 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5518 -0.6889 -3.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0614 -1.2274 -2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2955 -1.6636 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1650 -0.8902 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3278 1.2853 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3722 1.8578 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5354 -1.2213 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6975 0.0195 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5255 -0.4716 3.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6855 1.8734 3.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3046 -0.3386 3.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6904 0.4597 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0168 -0.3791 3.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3232 0.4078 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6362 -0.4196 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7154 -0.1457 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7425 0.6400 -0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7357 0.8960 -1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 -0.5691 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 -0.8474 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4315 1.8277 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 2.4150 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 2.0813 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7549 1.0083 0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 0.1390 3.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 -0.9097 1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7511 0.6397 3.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.1057 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9479 -1.9025 2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0102 -2.3275 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 -0.9434 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 1.1854 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 0.0944 2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 1.2285 2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 2.5395 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8323 2.7620 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0676 0.7616 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 2.1284 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 -0.2322 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.0905 -2.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3137 -0.7349 -3.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5827 0.4547 -3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 -2.2941 -2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4744 -1.6946 -3.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6729 -1.8895 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5824 -0.7816 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4087 -0.1189 -2.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2673 1.0643 -2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3965 0.8808 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5721 1.2390 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1041 -1.5137 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1912 -1.1918 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3548 -1.3600 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2683 -0.1755 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2527 1.6527 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5138 0.7313 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8169 0.3659 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1439 -0.5078 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8446 2.4756 -1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1254 1.8247 -0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9110 2.2145 -3.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5809 1.2358 -3.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4321 -0.7806 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7130 0.0331 -3.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4625 0.2994 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7579 0.9899 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4304 -1.1930 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1795 -1.9821 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4522 -1.9108 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4698 -0.1449 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5511 0.1080 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6849 -1.6635 2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2599 -1.9988 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6200 -2.9338 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5736 0.1764 2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0279 -1.4738 1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7652 -1.1886 3.1192 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 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 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 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 1 17 74 1 0 18 75 1 1 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 6 28 86 1 0 29 87 1 0 29 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M END