Mol:FL1C3CGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -1.3393 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3393 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2313 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2313 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 0.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 -0.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 -0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9424 0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3059 0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1123 0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 -0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2956 1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 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 1 1 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 19 2 1 0 0 0 0 12 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 13 30 1 0 0 0 0 30 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 32 M SMT 1 OCH3 M SBV 1 32 -8.6138 4.9648 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 34 M SMT 2 ^CH2OH M SBV 2 34 -9.1991 5.0524 S SKP 8 ID FL1C3CGS0015 KNApSAcK_ID C00007906 NAME Okanin 4-methyl ether 4'-glucoside CAS_RN 94285-20-8 FORMULA C22H24O11 EXACTMASS 464.13186161 AVERAGEMASS 464.41936000000004 SMILES c(c1)(c(ccc1C=CC(=O)c(c2)c(c(O)c(OC(C(O)3)OC(CO)C(C3O)O)c2)O)OC)O M END