Mol:FL5FF9NS0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.1554 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 -1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1929 -0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1929 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 -1.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 0.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0674 1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 1.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 1.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8438 0.1518 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 1 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 -1.5126 0.4728 S SKP 8 ID FL5FF9NS0013 KNApSAcK_ID C00004917 NAME 8-Hydroxygalangin 7-methyl ether 8-butyrate CAS_RN 69306-82-7 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES COc(c3)c(c(c(c(O)3)2)OC(=C(C2=O)O)c(c1)cccc1)OC(=O)CCC M END
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