Mol:FL5FPTNS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 1.6360 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 8 18 1 0 0 0 0 18 19 1 0 0 0 0 19 13 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 3 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 28 M SMT 1 OCH3 M SVB 1 28 -2.64 0.77 S SKP 8 ID FL5FPTNS0007 KNApSAcK_ID C00005113 NAME Pulcherrimin;7-Hydroxy-9-methoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one CAS_RN 89945-86-8 FORMULA C18H12O7 EXACTMASS 340.058302738 AVERAGEMASS 340.28368 SMILES c(c51)(O)cc(OC)cc(OC(=C(C5=O)4)c(c3CO4)ccc(c32)OCO2)1 M END
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