Mol:FL5FACGS0063
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.3144 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4001 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4001 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7433 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7065 1.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7431 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2172 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4886 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2813 0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6109 1.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 1.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 1.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 24 21 1 0 0 0 0 S SKP 8 ID FL5FACGS0063 KNApSAcK_ID C00013835 NAME Quercetin 4'-galactoside CAS_RN - FORMULA C20H18O12 EXACTMASS 450.07982604 AVERAGEMASS 450.34972 SMILES C(O1)(Oc(c4)c(O)cc(c4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(O)C(O)C(O)1 M END