Mol:FL63BANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.5458 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 0.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0302 -1.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 1.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0786 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 1.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 -1.3753 0.0000 C 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 9 12 1 6 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 8 18 1 1 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 11 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -6.7720 5.7037 S SKP 8 ID FL63BANP0001 KNApSAcK_ID C00008908 NAME 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan CAS_RN - FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c3)c(c2c(C=4)c(OC(C4)(C)C)3)CC(C(O2)c(c1)ccc(O)c1)O M END