Mol:FL3FFCGS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.5808 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 -0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6744 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6744 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -1.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -0.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 0.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3909 1.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2847 1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 1.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0003 1.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 1.4874 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 16 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 21 15 1 0 0 0 0 6 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 22 1 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 -7.5455 3.4576 S SKP 8 ID FL3FFCGS0003 KNApSAcK_ID C00004419 NAME 8-Hydroxyluteolin 8-glucoside;Hypolaetin 8-O-beta-D-glucoside CAS_RN 27686-36-8 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES c(c1)(O)c(C(=O)4)c(OC(=C4)c(c3)cc(c(O)c3)O)c(OC(C(O)2)OC(CO)C(O)C2O)c1O M END
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