Mol:EEL3028
Copyright: ARM project http://www.metabolome.jp/
49 48 0 0 0 0 0 0 0 0999 V2000 -7.8157 -1.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9399 -1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -1.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9901 -0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5711 0.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7349 -1.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7641 -0.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5115 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0827 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3683 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9185 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4906 0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1863 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0432 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3856 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1012 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0827 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7751 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4906 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3856 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2435 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1012 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8157 -1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9497 -1.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8133 -1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 3 7 1 0 3 6 1 0 8 5 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 6 23 1 0 10 38 1 0 14 39 1 0 18 40 1 0 22 41 1 0 25 42 1 0 29 43 1 0 33 44 1 0 37 45 1 0 22 46 1 0 37 47 1 0 1 48 1 0 49 2 1 0 49 48 1 0
A 1 Glc A 48 Glc S SKP 6 AUTODRAW FALSE ID EEL3028 FORMULA C45H92O3 EXACTMASS 680.70464681 AVERAGEMASS 681.21018 SMILES C(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)C(COCC)(OCCC(CCCC(C)CCCC(CCCC(C)C)C)C)[H] M END
