Mol:FL3FA9ND0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6117 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 1.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5877 1.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 24 29 2 0 0 0 0 20 30 1 6 0 0 0 21 31 1 6 0 0 0 S SKP 8 ID FL3FA9ND0001 KNApSAcK_ID C00013471 NAME Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione CAS_RN 35820-34-9 FORMULA C23H20O6 EXACTMASS 392.125988372 AVERAGEMASS 392.4013 SMILES C(C)(C)(O1)C(=O)C(c52)([H])C([H])(COc(cc(OC)c(c53)C(C=C(c(c4)cccc4)O3)=O)2)1 M END
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