Mol:FL4DEANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.7458 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -0.5014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3377 0.1001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1832 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -0.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 -0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -0.0698 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 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 1 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 SVB 1 24 -2.4603 -0.3182 S SKP 8 ID FL4DEANS0002 KNApSAcK_ID C00008564 NAME 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone CAS_RN 130926-73-7 FORMULA C16H14O7 EXACTMASS 318.073952802 AVERAGEMASS 318.27816 SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)O[C@H](c(c2)ccc(O)c2)[C@@H](O)1 M END