Mol:FL3F1CGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.6326 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5867 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1074 -0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3437 0.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8495 -0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8778 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4707 0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -0.1845 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 1 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 18 22 1 0 0 0 0 16 28 1 0 0 0 0 15 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -7.0453 4.2912 S SKP 8 ID FL3F1CGS0002 KNApSAcK_ID C00004134 NAME 7,3',4'-Trihydroxyflavone 7-galactoside CAS_RN - FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)cc(c(O)1)O M END