Mol:FL5FE8NS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -0.7138 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7152 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5705 0.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -0.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5717 0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 -1.7609 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 1 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 2 1 0 0 0 0 9 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 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 4 18 1 0 0 0 0 8 19 1 0 0 0 0 18 20 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 19 26 1 0 0 0 0 S SKP 8 ID FL5FE8NS0002 KNApSAcK_ID C00013366 NAME 5,2',3'-Trihydroxy-3,6,7-trimethoxyflavone CAS_RN - FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c(O)2)cccc2O)OC)=O M END
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