Mol:FL2FG9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.6096 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9769 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9504 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 1.2726 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2157 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 1.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 0.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6548 -0.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 -1.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.8071 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 3 18 1 0 0 0 0 6 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -2.3149 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -1.9576 0.77 S SKP 8 ID FL2FG9NS0001 KNApSAcK_ID C00008159 NAME Didymocarpin A CAS_RN 72061-65-5 FORMULA C17H16O6 EXACTMASS 316.094688244 AVERAGEMASS 316.30534 SMILES COc(c(OC)1)c(O)c(O2)c(C(=O)CC(c(c3)cccc3)2)c(O)1 M END
