Mol:FL2FAKNM0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.3201 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6512 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3271 -0.8550 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 19 1 1 0 0 0 0 15 20 1 0 0 0 0 6 21 1 0 0 0 0 2 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 1.8047 -0.0612 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 2.1619 1.127 S SKP 8 ID FL2FAKNM0001 KNApSAcK_ID C00008345 NAME 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone CAS_RN 88839-96-7 FORMULA C19H20O7 EXACTMASS 360.120902994 AVERAGEMASS 360.3579 SMILES c(c(OC)1)(OC)cc(C(O2)CC(c(c3O)c2c(c(c3C)O)C)=O)cc1O M END
</pre>