Mol:FL3FRNNP0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.1296 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -0.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 -0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7839 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 -0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7839 -0.4079 0.0000 C 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 11 2 0 0 0 0 10 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 5 9 2 0 0 0 0 11 10 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 7 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 20 22 1 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 19 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 14 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 11 32 1 0 0 0 0 32 33 1 0 0 0 0 S SKP 8 ID FL3FRNNP0005 KNApSAcK_ID C00013490 NAME Artonol E;6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one CAS_RN 186824-61-3 FORMULA C26H24O7 EXACTMASS 448.152203122 AVERAGEMASS 448.46456 SMILES Oc(c1)c(C(=O)5)c(OC(=C45)c(c(O)3)c(C(C4)C(C)=C)c(c(c32)OC(C=C2)(C)C)O)cc(OC)1 M END
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