Mol:FL3FACGSS002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -2.7030 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 0.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 -1.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0119 1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 -1.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 1.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 0.3833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8989 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0492 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 0.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -0.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9324 0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 0.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 0.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 -0.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 0.0680 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 31 1 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 28 34 1 0 0 0 0 34 35 1 0 0 0 0 14 36 1 0 0 0 0 26 36 1 0 0 0 0 S SKP 8 ID FL3FACGSS002 KNApSAcK_ID C00004327 NAME Luteolin 7-sulfate-3'-glucoside CAS_RN 33530-70-0 FORMULA C21H20O14S EXACTMASS 528.057376038 AVERAGEMASS 528.4411 SMILES c(c2)(C(=C4)Oc(c(C(=O)4)3)cc(cc(O)3)OS(O)(=O)=O)cc(c(O)c2)OC(O1)C(O)C(O)C(O)C1CO M END
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