Mol:FL3FACCS0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.1970 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 -1.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 0.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -1.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 0.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 -2.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0921 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8123 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0921 1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 1.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9421 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 -1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6751 -1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -0.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -1.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0758 -1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9944 -1.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 0.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 -0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0921 2.2861 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 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 2 23 1 0 0 0 0 1 29 1 0 0 0 0 25 30 1 0 0 0 0 17 31 1 0 0 0 0 S SKP 5 ID FL3FACCS0006 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 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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