Mol:FL5FACGS0073
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 1.9352 4.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 3.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 3.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 4.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 4.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 3.4186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2081 2.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 2.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 3.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 2.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 0.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 3.4186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 0.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 4.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9927 3.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0267 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9242 0.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 -0.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 -0.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -0.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 0.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4099 -1.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 -1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -1.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2133 -2.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -2.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 -1.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0206 -1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5287 -4.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 -4.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 -3.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5556 -3.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 -3.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7903 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -3.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 -4.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9927 -4.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 19 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 38 30 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 46 50 1 0 0 0 0 45 51 1 0 0 0 0 44 52 1 0 0 0 0 47 40 1 0 0 0 0 S SKP 5 ID FL5FACGS0073 FORMULA C32H38O20 EXACTMASS 742.1956436559999 AVERAGEMASS 742.63212 SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(O2)C(C(C(C(COC(O3)C(OC(O4)C(C(C(C4)O)O)O)C(C(O)C(C)3)O)2)O)O)O)cc(cc(O)1)O M END