Mol:FL2FABGM0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 47 0 0 0 0 0 0 0 0999 V2000 0.6748 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5363 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1864 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9025 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6154 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6122 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8961 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8248 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0494 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8369 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6259 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1991 1.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8026 1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1139 1.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3971 1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5644 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1599 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7185 0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3982 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8026 1.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1599 0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 14 32 1 0 0 0 0 32 33 1 0 0 0 0 25 18 1 0 0 0 0 34 28 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 40 43 1 0 0 0 0 40 44 2 0 0 0 0 S SKP 8 ID FL2FABGM0005 KNApSAcK_ID C00014358 NAME Matterionate A;Matteuorienate A;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] CAS_RN 161161-68-8 FORMULA C30H36O14 EXACTMASS 620.21050586 AVERAGEMASS 620.59844 SMILES C(C4)(Oc(c3C(=O)4)c(c(c(c3O)C)OC(O2)C(O)C(O)C(C(COC(=O)CC(CC(O)=O)(C)O)2)O)C)c(c1)ccc(c1)OC M END