Mol:FL2FABNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.3025 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3025 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 1.0418 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 6 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -8.4347 4.1498 S SKP 8 ID FL2FABNM0001 KNApSAcK_ID C00008243 NAME Matteucinol CAS_RN 489-38-3 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES c(C(O2)CC(c(c3O)c2c(c(c3C)O)C)=O)(c1)ccc(OC)c1 M END