Mol:FL5FDCNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.5280 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 0.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3028 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3028 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 -1.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 0.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0841 0.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 -1.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 1.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 1.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 -1.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 -0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 -1.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 -1.8022 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 9 12 1 0 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -0.1039 -1.0086 S SKP 8 ID FL5FDCNI0004 KNApSAcK_ID C00005116 NAME 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one CAS_RN 150853-98-8 FORMULA C21H20O7 EXACTMASS 384.120902994 AVERAGEMASS 384.37929999999994 SMILES O(c21)C(c(c3)cc(c(O)c(O)3)CC=C(C)C)=C(C(=O)c1c(cc(O)c2)O)OC M END