Mol:FL3FAANS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -0.9830 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1296 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5391 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 0.0057 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 18 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FL3FAANS0002 KNApSAcK_ID C00004180 NAME Apigenin 7-lactate CAS_RN 126462-89-3 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(C(=C3)Oc(c2C(=O)3)cc(OC(=O)C(C)O)cc2O)(c1)ccc(O)c1 M END
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