HMDB0007497 RDKit 3D DG(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 18.6149 1.0123 -0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8752 0.3146 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3616 1.2449 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1294 1.4323 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0212 0.6712 1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 1.5997 0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8186 1.7401 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2267 0.9905 1.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1539 0.0527 1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5444 -0.3399 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8022 0.0813 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 0.7444 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0502 0.2276 -2.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 -0.9205 -3.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5768 -2.0991 -3.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 -2.4444 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6717 -1.6247 -1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2886 -1.2261 -2.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 -2.3924 -2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 -3.2494 -1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 -2.4762 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -1.9227 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 -2.2860 -1.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 -1.0412 0.6815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -0.5217 0.5947 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3451 -0.7217 1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 -0.1525 2.9487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4884 0.9673 0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 1.4401 0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 1.0060 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 0.0521 -1.1809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 1.6563 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2919 0.7331 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6966 1.2732 -0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9503 1.5222 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3421 1.9828 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3669 0.9042 0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0339 -0.3201 1.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8323 -0.8707 2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1921 -0.4359 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1055 -1.5559 2.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1154 -1.4540 1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5551 -0.2895 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5853 -0.5572 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7102 -0.4986 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0280 -0.1809 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6570 1.0656 -1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9861 1.3308 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9665 0.1924 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2649 0.5631 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8839 0.2540 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0338 1.8179 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6054 1.3568 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2227 -0.4146 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6935 -0.2805 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1163 1.8713 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8666 2.1638 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 -0.0777 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6268 0.0053 1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4437 2.2232 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2351 2.5221 0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0599 0.6014 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7966 1.7888 2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8141 -0.3957 2.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7212 -1.0872 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6459 0.7287 -0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0515 -0.8512 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1939 1.6614 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1721 0.8308 -2.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6264 -0.5528 -4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4606 -1.2754 -2.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0001 -2.9041 -3.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0144 -3.4689 -2.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1881 -0.7613 -1.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4457 -2.3313 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3166 -0.6442 -3.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 -0.5800 -1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 -2.9884 -3.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3713 -1.9652 -2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -3.7949 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -4.0409 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 -3.1470 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3846 -1.6489 0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 -0.9955 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 -0.2183 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 -1.7968 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 0.7920 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 1.4524 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 1.1628 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 1.7983 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 2.5991 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2834 -0.2646 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 0.5577 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3963 0.5170 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7717 2.1977 -1.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2465 2.3517 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 0.6304 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5114 2.9178 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4317 2.2147 2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3880 1.2751 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2599 0.7865 -0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0569 -0.7855 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4819 -1.7885 2.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5395 0.4924 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1750 -0.2981 3.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8981 -2.5324 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7263 -2.3779 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8616 0.5901 1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5137 0.0764 1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6605 -0.8031 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6226 -0.7114 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7090 -1.0423 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1112 -0.1794 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0152 1.9364 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7809 0.9285 -2.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3926 2.2786 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7978 1.5052 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5769 -0.7286 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1498 0.0352 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6526 -0.2805 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1190 1.4324 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0292 0.8095 -0.7155 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 1 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 25 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 6 26 85 1 0 26 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END