Mol:FL2FAEGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.0539 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0587 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0587 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1713 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1713 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6150 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2648 -0.5061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7347 -0.2999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2231 -0.2944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5948 0.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 -0.1674 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1424 0.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 -0.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 1.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 0.6826 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 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 19 15 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 14 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 33 M SMT 2 CH2OH M SVB 2 33 -2.7655 0.2624 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 3.4282 1.0951 S SKP 8 ID FL2FAEGS0004 KNApSAcK_ID C00008297 NAME Hesperetin 7-O-glucoside CAS_RN 2500-68-7 FORMULA C22H24O11 EXACTMASS 464.13186161 AVERAGEMASS 464.41936000000004 SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)OC)CC2=O)CO)O)O M END