Mol:FL5FCEGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.2780 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 -5.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 -4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 -3.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 -4.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 -4.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 -3.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 -2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6644 -3.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8841 -3.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8743 -3.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0772 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8532 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7219 -2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3976 -2.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 -0.8086 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4606 -1.4800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2060 -1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -1.4800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3437 -0.8086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5982 -1.0216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1211 -1.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 -1.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 -4.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7872 -2.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -0.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -5.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 -6.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -1.8502 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 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 3 28 1 0 0 0 0 16 29 1 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 1 32 1 0 0 0 0 32 33 1 0 0 0 0 22 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 34 35 M SBL 3 1 37 M SMT 3 CH2OH M SVB 3 37 2.5265 -1.4377 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SVB 2 35 -3.4278 0.5114 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 1.4115 1.1956 S SKP 8 ID FL5FCEGL0001 KNApSAcK_ID C00005614 NAME Ombuin 3-glucoside;Yixingensin;5,3'-Dihydroxy-7,4'-dimethoxyflavone 3-O-beta-D-glucopyranoside;3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one CAS_RN 158642-42-3 FORMULA C23H24O12 EXACTMASS 492.126776232 AVERAGEMASS 492.42946 SMILES Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)OC M END