Mol:FL5FELGS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 3.3620 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2186 -1.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7935 0.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8977 -0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3059 -0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5168 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 0.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1537 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7935 -0.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3464 -0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -0.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -1.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 -1.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 -1.8220 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 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 18 1 0 0 0 0 16 32 1 0 0 0 0 1 33 1 0 0 0 0 12 34 1 0 0 0 0 34 35 1 0 0 0 0 15 36 1 0 0 0 0 36 37 1 0 0 0 0 S SKP 8 ID FL5FELGS0004 KNApSAcK_ID C00013991 NAME 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3,6-dimethoxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 349152-35-8 FORMULA C23H24O14 EXACTMASS 524.116605476 AVERAGEMASS 524.42826 SMILES COc(c(OC(C(O)4)OC(CO)C(C4O)O)3)c(c(c1c3)C(=O)C(OC)=C(c(c2)c(O)c(O)c(c2)O)O1)O M END
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