Mol:FL5FF9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.6796 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 1.5945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1969 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1085 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -1.9454 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 21 25 2 0 0 0 0 24 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 0.7445 -1.1516 S SKP 8 ID FL5FF9NI0001 KNApSAcK_ID C00004914 NAME 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate CAS_RN 128508-14-5 FORMULA C21H20O7 EXACTMASS 384.120902994 AVERAGEMASS 384.37929999999994 SMILES COC(C3=O)=C(Oc(c23)c(OC(=O)C(C)CC)c(O)cc2O)c(c1)cccc1 M END