Mol:FL3FAECS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.3490 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9051 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1877 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5314 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 0.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 -0.0330 0.0000 C 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 9 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 25 29 1 0 0 0 0 18 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 33 M SMT 1 CH2OH M SBV 1 33 -7.3135 5.6057 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SBV 2 35 -7.1627 5.6928 S SKP 8 ID FL3FAECS0001 KNApSAcK_ID C00006121 NAME 8-C-beta-D-Glucopyranosyldiosmetin;8-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 15822-81-8 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES Oc(c24)cc(O)c(c(OC(=CC(=O)4)c(c3)ccc(c3O)OC)2)C(O1)C(O)C(C(C1CO)O)O M END