Mol:FL3FA9GS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.1738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3825 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3825 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3825 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4532 0.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 0.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 1.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 -0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7697 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 0.3422 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 3 18 1 0 0 0 0 1 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 23 19 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 CH2OH M SBV 1 32 -7.1856 2.8790 S SKP 8 ID FL3FA9GS0003 KNApSAcK_ID C00004111 NAME Chrysin 7-galactoside CAS_RN 73036-52-9 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES C(=C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO M END