Mol:FL4DBANI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.8426 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -1.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 0.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8421 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 -1.7841 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 8 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 2 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 SBV 1 28 -8.5066 4.0861 S SKP 8 ID FL4DBANI0001 KNApSAcK_ID C00008624 NAME 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone CAS_RN 204935-85-3 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES c(c3)c(ccc(O)3)C(O2)C(C(c(c21)c(cc(O)c1CC=C(C)C)OC)=O)O M END
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