Mol:FL3FACCS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.9916 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 -1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5167 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 -1.0966 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 3 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 2 23 1 0 0 0 0 1 29 1 0 0 0 0 17 30 1 0 0 0 0 25 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 SBV 1 34 -5.7279 6.9677 S SKP 8 ID FL3FACCS0005 KNApSAcK_ID C00006104 NAME 6-C-Galactosylluteolin;2-(3,4-Dihydroxyphenyl)-6-beta-D-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one CAS_RN 113349-18-1 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c1)c(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)cc(c(O)1)O M END
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