Mol:FL4DACGS0027
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.5040 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7838 1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5128 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0843 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3712 -0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 1.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 2.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 2.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 2.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2123 1.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -0.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2123 1.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0114 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 -2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 -1.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -0.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 -1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 -1.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8327 -2.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 -2.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -0.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 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 1 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 14 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 19 1 0 0 0 0 4 31 1 0 0 0 0 S SKP 5 ID FL4DACGS0027 FORMULA C20H20O11 EXACTMASS 436.100561482 AVERAGEMASS 436.3662 SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O M END
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