Mol:FL3FALNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.2003 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1479 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7149 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7149 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1479 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8674 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1479 0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 -1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 -0.7128 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 25 13 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 S SKP 8 ID FL3FALNI0001 KNApSAcK_ID C00004021 NAME Brosimone I;(E)-(+)-3,8,10-Trihydroxy-9-(3-methyl-1-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one CAS_RN 123064-86-8 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES CC(C)C=Cc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)c1)O M END
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