Mol:FLIA1ANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -3.2908 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2908 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0656 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0656 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6481 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 2.1722 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 8 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 14 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -3.6481 1.3062 S SKP 8 ID FLIA1ANI0002 KNApSAcK_ID C00009435 NAME Durlettone CAS_RN 60270-41-9 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES c(c3)c(ccc(OCC=C(C)C)3)C(C1=O)=COc(c2)c1ccc2OC M END