Mol:FL5FACGS0068
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 1.1147 3.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 3.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 4.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 1.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 0.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2192 1.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 4.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1721 2.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 -0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5768 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -1.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 -0.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1789 -0.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 0.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 -3.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -3.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5975 -2.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0592 -1.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2517 -1.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 -2.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 -3.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2571 -4.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -3.9004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -2.1636 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 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 27 19 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 29 1 0 0 0 0 S SKP 5 ID FL5FACGS0068 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c5O)c(cc(c53)OC(c(c4)ccc(O)c4O)=C(C3=O)OC(C(OC(O2)C(C(O)C(C2CO)O)O)1)OC(C)C(O)C1O)O M END
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