Mol:FL2FE8NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.8577 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5721 -0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -0.8328 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 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 3 18 1 0 0 0 0 16 19 1 0 0 0 0 20 1 1 0 0 0 0 13 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 ^OCH3 M SBV 1 24 -9.1886 5.5433 S SKP 8 ID FL2FE8NS0002 KNApSAcK_ID C00008337 NAME 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone CAS_RN 81524-09-6 FORMULA C16H14O7 EXACTMASS 318.073952802 AVERAGEMASS 318.27816 SMILES COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)c(O)ccc(O)1 M END