Mol:FL2FALNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.3201 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7638 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 -0.0290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6512 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -1.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3962 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 0.8615 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 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 2.1619 1.274 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 0.1039 1.5655 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.2002 -1.153 S SKP 8 ID FL2FALNS0001 KNApSAcK_ID C00008355 NAME Cerasinone CAS_RN 64166-14-9 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES O(C(c(c(OC)3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(O)cc1OC M END