Mol:FL5FACGS0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -3.3847 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3847 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 -1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5797 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5797 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 0.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 -1.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8359 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8359 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0855 0.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 -1.3370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 -1.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1926 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 -1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6885 -0.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7581 -0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8793 -1.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 1.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6834 -1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8359 2.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 -0.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 -2.4439 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 3 4 1 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 1 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 23 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 32 33 34 M SBL 1 1 37 M SMT 1 COOH M SBV 1 37 -0.8616 -0.2311 S SKP 5 ID FL5FACGS0008 FORMULA C21H18O13 EXACTMASS 478.07474066199995 AVERAGEMASS 478.35982 SMILES C(C(C(O)=O)1)(O)C(C(C(OC(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)O1)O)O M END
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