Mol:FL5F3CNS0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.0716 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 0.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 1.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0716 0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -2.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 0.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 -1.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 1.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 0.8737 0.0000 O 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 14 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 S SKP 8 ID FL5F3CNS0006 KNApSAcK_ID C00013360 NAME 3'-O-Methylmelanoxetin;3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 63807-91-0 FORMULA C16H12O7 EXACTMASS 316.058302738 AVERAGEMASS 316.26228000000003 SMILES COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c2)c1c(O)c(O)c2 M END
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