Mol:FL5FABGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.3538 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 1.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 -0.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 0.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 1.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 -0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 -0.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 -1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 -1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 -0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2776 -1.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5928 -2.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 2.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 1.7851 0.0000 C 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 8 19 1 0 0 0 0 3 20 1 0 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 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 19 1 0 0 0 0 15 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 OCH3 M SBV 1 34 -3.7989 4.8518 S SKP 8 ID FL5FABGS0002 KNApSAcK_ID C00005288 NAME Kaempferide 3-rhamnoside;Kaempferol 4'-methyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 148435-12-5 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES OC(C1OC(C(=O)3)=C(Oc(c4)c3c(cc4O)O)c(c2)ccc(OC)c2)C(C(O)C(C)O1)O M END