Mol:FL3FCAGS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.4136 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 -1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6093 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 -0.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 -1.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6987 -0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6987 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2206 0.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 1.0929 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1117 0.4214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8572 0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 0.4214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9949 1.0929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2494 0.8799 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7794 0.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4963 1.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0088 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8338 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 0.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 0.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2707 1.0736 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 15 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 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 18 20 1 0 0 0 0 3 28 1 0 0 0 0 28 29 1 0 0 0 0 22 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 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 30 31 M SBL 3 1 33 M SMT 3 CH2OH M SVB 3 33 3.1194 0.4482 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 -3.7708 0.2075 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -3.0088 -1.7779 S SKP 8 ID FL3FCAGS0004 KNApSAcK_ID C00004215 NAME Apigenin 5,7-dimethyl ether 4'-galactoside CAS_RN 60372-13-6 FORMULA C23H24O10 EXACTMASS 460.136946988 AVERAGEMASS 460.43066 SMILES O(C)c(c4)c(C3=O)c(cc4OC)OC(=C3)c(c1)ccc(O[C@@H](C(O)2)O[C@H](CO)[C@H](O)C2O)c1 M END
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