Mol:FL3FACGS0052
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.2162 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2162 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 -0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 1.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 -0.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 2.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8709 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4169 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1873 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 -0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9246 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9246 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9851 -2.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 1.6217 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 18 1 0 0 0 0 16 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 26 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 46 M SMT 1 ^CH2OH M SBV 1 46 -6.5885 7.5824 S SKP 8 ID FL3FACGS0052 KNApSAcK_ID C00004312 NAME Luteolin 7-(2''-p-coumaroylglucoside) CAS_RN 95596-61-5 FORMULA C30H26O13 EXACTMASS 594.137340918 AVERAGEMASS 594.51964 SMILES c(O)(c12)cc(OC(O5)C(C(C(C5CO)O)O)OC(=O)C=Cc(c4)ccc(c4)O)cc1OC(c(c3)cc(O)c(c3)O)=CC(=O)2 M END
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