Mol:FL5FACGS0065
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 1.1147 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 3.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 -0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 0.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 -0.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 3.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 1.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 -2.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -2.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7787 -3.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8466 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -0.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 -1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2101 -2.1305 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 38 33 1 1 0 0 0 37 33 1 1 0 0 0 36 38 1 1 0 0 0 38 34 1 0 0 0 0 39 36 1 0 0 0 0 37 39 1 0 0 0 0 33 35 1 0 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 19 36 1 0 0 0 0 27 34 1 0 0 0 0 S SKP 5 ID FL5FACGS0065 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(c5O)c(c(c(c5)1)C(=O)C(OC(C(OC(C4O)OC(C)C(C4O)O)3)OC(C3O)CO)=C(c(c2)ccc(O)c2O)O1)O M END
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