Mol:FL2FADNI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.8426 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 -0.3004 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2800 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 1.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 2.3967 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 0 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 2 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 1.5624 1.492 S SKP 8 ID FL2FADNI0004 KNApSAcK_ID C00008540 NAME Exiguaflavanone K CAS_RN 156281-21-9 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES c(c1)(C(C3)Oc(c(CC=C(C)C)2)c(C(=O)3)c(cc(O)2)O)cc(c(O)c1)OC M END
</pre>