Mol:FL3FCACS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -1.0776 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 -2.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2965 1.7270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9021 1.2682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6452 0.6075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6383 -0.0299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1750 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.0113 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5514 2.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 1.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -2.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 -0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0719 -1.7560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7007 -2.2460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1662 -2.0381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6505 -2.0326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0253 -1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 -1.9045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6629 -1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 -2.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -2.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4348 -0.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1854 -1.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7687 -0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 1.0005 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 9 22 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 1 38 1 0 0 0 0 38 39 1 0 0 0 0 34 40 1 0 0 0 0 40 41 1 0 0 0 0 17 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 0.2159 1.413 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 44 M SMT 2 CH2OH M SVB 2 44 -2.8913 -1.1203 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 42 M SMT 1 OCH3 M SVB 1 42 -1.4348 -0.4537 S SKP 8 ID FL3FCACS0022 KNApSAcK_ID C00006283 NAME 6,8-Di-C-glucopyranosylgenkwanin CAS_RN 128397-01-3 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