Mol:FL3FACGS0072
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.5035 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5035 -0.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 -0.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -0.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -0.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 -0.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 0.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4977 0.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4977 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -1.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 0.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 -1.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1206 2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 0.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 -1.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2578 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 -1.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 -1.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6753 -1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7904 -2.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 -1.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 -1.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1868 -0.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 -0.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1161 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4616 -0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4126 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8629 1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 1.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2034 0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0572 -1.0545 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 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 24 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 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 34 39 1 0 0 0 0 33 40 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 32 37 1 0 0 0 0 25 19 1 0 0 0 0 S SKP 5 ID FL3FACGS0072 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C2Oc(c34)cc(O)cc3OC(c(c5)cc(c(c5)O)O)=CC4=O)O)C(C(O)C(O)1)O M END
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