Mol:FL2FEGNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.8952 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -0.1955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3325 0.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -1.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 -1.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 0.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 -0.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5975 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 -0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -0.8950 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 6 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 16 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 1.8952 -0.1013 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -2.6096 -0.6849 S SKP 8 ID FL2FEGNS0002 KNApSAcK_ID C00008490 NAME Agamanone CAS_RN 143381-59-3 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(c1OC)(O)cc(O2)c(C(=O)CC2c(c4)cc(c(c(OC)4)3)OCO3)c1O M END