Mol:FL5F1CNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -2.2227 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6664 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4388 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 1.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 -1.5616 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 8 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 28 M SMT 1 OCH3 M SVB 1 28 0.2014 -0.768 S SKP 8 ID FL5F1CNF0001 KNApSAcK_ID C00005092 NAME Pongapin;3-Methoxy-2-[3,4-(methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-4H-furo[2,3-h]-1-benzopyran-4-one CAS_RN 481-99-2 FORMULA C19H12O6 EXACTMASS 336.063388116 AVERAGEMASS 336.29498 SMILES c(c51)(OCO5)ccc(C(O4)=C(C(c(c43)ccc(c32)occ2)=O)OC)c1 M END