Mol:FL5FAAGL0074
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -4.9398 3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9398 2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5109 2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5109 3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 2.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 3.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 1.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 3.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 3.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 4.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 5.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 4.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2254 1.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 5.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5756 3.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 1.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 -3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 -4.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 -3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 -4.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -4.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5057 -3.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2532 -3.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6269 -4.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2532 -5.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5057 -5.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -4.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 0.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6814 -0.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 -1.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 0.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3953 -1.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 -2.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9381 -2.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4158 -3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3336 0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7073 -0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 -0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8286 0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4549 0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7073 0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -0.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 21 1 0 0 0 0 22 43 1 0 0 0 0 43 42 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 44 53 1 0 0 0 0 53 54 2 0 0 0 0 40 53 1 0 0 0 0 4 3 1 0 0 0 0 S SKP 5 ID FL5FAAGL0074 FORMULA C39H32O15 EXACTMASS 740.174120354 AVERAGEMASS 740.66238 SMILES c(c6)c(ccc6O)C(O4)=C(C(=O)c(c(O)5)c4cc(O)c5)OC(O1)C(C(OC(=O)C=Cc(c3)ccc(c3)O)C(O)C(COC(=O)C=Cc(c2)ccc(c2)O)1)O M END
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