Mol:FL3FACCS0040
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.8335 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3304 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3304 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4213 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4213 0.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4213 -1.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 -1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 2.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4332 -2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0049 -1.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 -2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6886 -2.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 -2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9595 -0.8824 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 3 12 1 0 0 0 0 1 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 9 14 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 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 22 1 0 0 0 0 24 28 1 0 0 0 0 23 29 2 0 0 0 0 22 30 1 0 0 0 0 25 31 1 0 0 0 0 2 26 1 0 0 0 0 S SKP 5 ID FL3FACCS0040 FORMULA C21H18O10 EXACTMASS 430.089996796 AVERAGEMASS 430.36162 SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)cc(c(O)1)O M END
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