Mol:FLID1CGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 39 0 0 0 0 0 0 0 0999 V2000 -1.3394 0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 0.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 0.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7829 0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 -1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 -0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 0.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0971 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5985 0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1415 0.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6368 0.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 0.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -0.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 0.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7673 -1.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 -0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7673 -0.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0628 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 1.2959 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 1 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 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 22 1 1 0 0 0 0 14 12 1 0 0 0 0 6 28 1 6 0 0 0 7 29 1 6 0 0 0 16 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 17 1 0 0 0 0 24 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 38 M SMT 1 ^CH2OH M SBV 1 38 -6.4944 5.7734 S SKP 8 ID FLID1CGS0002 KNApSAcK_ID C00010186 NAME (-)-Maackiain 3-O-glucoside;Trifolirhizin;Sophojaponicin B1 CAS_RN 6807-83-6 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES c(c2)(ccc(C([H])34)c2OCC3([H])c(c5)c(cc(O6)c5OC6)O4)OC(C(O)1)OC(CO)C(O)C1O M END