Mol:FL3FACGS0014
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5574 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 -1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 -2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 -1.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 -2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 2.3407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2266 1.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5667 1.2583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5667 0.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0525 1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 1.6540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9337 2.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 0.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 2.5200 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 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 16 30 1 0 0 0 0 26 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 CH2OH M SVB 1 34 1.5092 1.654 S SKP 8 ID FL3FACGS0014 KNApSAcK_ID C00004273 NAME Luteolin 3'-glucoside CAS_RN 5154-41-6 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C1CO M END
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