Mol:FL2FAAGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.6761 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6761 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 0.7219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9928 1.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2391 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2391 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -0.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2324 1.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2964 0.9097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9283 0.4238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3981 0.6299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8866 0.6354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2583 1.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 0.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8059 1.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4365 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 0.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 -1.2353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7320 -1.7212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2019 -1.5151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6903 -1.5096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0621 -1.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 -1.3825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6862 -1.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 -2.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9234 1.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7272 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6788 -0.1360 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 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 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 20 1 0 0 0 0 26 39 1 0 0 0 0 39 40 1 0 0 0 0 35 41 1 0 0 0 0 41 42 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 45 M SMT 2 CH2OH M SVB 2 45 -1.7272 -0.4434 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 43 M SMT 1 CH2OH M SVB 1 43 -2.9234 1.7016 S SKP 8 ID FL2FAAGS0014 KNApSAcK_ID C00008214 NAME Naringenin 5,7-di-O-glucoside CAS_RN 5180-65-4 FORMULA C27H32O15 EXACTMASS 596.174120354 AVERAGEMASS 596.5339799999999 SMILES C(C(O1)[C@@H]([C@H](O)[C@H](O)[C@H](Oc(c4)cc(O2)c(c4O[C@H](O5)[C@H]([C@@H](O)[C@H](C5CO)O)O)C(=O)CC2c(c3)ccc(c3)O)1)O)O M END