Mol:FL3FFCGS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.9210 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5187 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5187 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -3.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5841 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5841 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 1.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 -3.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 -0.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 0.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 2.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2981 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 1.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 1.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 2.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6552 2.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 3.3776 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 16 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 15 1 0 0 0 0 6 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 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 22 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 28 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 -0.2609 -0.9311 S SKP 5 ID FL3FFCGS0004 FORMULA C21H18O13 EXACTMASS 478.07474066199995 AVERAGEMASS 478.35982 SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)c(cc(O)c(C(=O)C=C(O3)c(c2)cc(c(O)c2)O)1)O)O)O M END
</pre>