Mol:FL3FCACS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.0054 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1072 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 -0.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -0.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 -2.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 2.2795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8093 1.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5524 1.1601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5455 0.5226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0822 0.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 1.5638 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2971 2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 2.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1878 0.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -2.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 0.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 -1.7397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7111 -2.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1766 -2.0218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6608 -2.0163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0356 -1.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 -1.8882 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6732 -1.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 -2.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 -2.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 1.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 -0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8626 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1576 -1.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5701 -0.3776 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 12 13 1 1 0 0 0 13 14 1 1 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 6 15 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 22 9 1 0 0 0 0 25 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 2 1 0 0 0 0 17 38 1 0 0 0 0 38 39 1 0 0 0 0 1 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 42 43 M SBL 3 1 46 M SMT 3 CH2OH M SVB 3 46 -2.7598 -0.8901 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 38 39 M SBL 2 1 42 M SMT 2 CH2OH M SVB 2 42 0.0364 1.8084 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 OCH3 M SVB 1 44 -1.3626 -0.1074 S SKP 8 ID FL3FCACS0026 KNApSAcK_ID C00006400 NAME 6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin CAS_RN - FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES c(C2=O)(c4O)c(c(c(c4[C@H](O5)[C@H]([C@H]([C@@H](O)C5CO)O)O)OC)[C@H](O3)[C@@H](O)[C@H]([C@H](C3CO)O)O)OC(=C2)c(c1)ccc(c1)O M END