Mol:FLIAFLNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.6282 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 1.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 -1.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 0.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7595 0.3932 0.0000 C 0 0 0 0 0 0 0 0 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 13 27 1 0 0 0 0 27 28 1 0 0 0 0 14 29 1 0 0 0 0 29 30 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 31 32 M SBL 4 1 33 M SMT 4 OCH3 M SVB 4 33 2.045 0.8057 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 29 30 M SBL 3 1 31 M SMT 3 OCH3 M SVB 3 31 2.5796 -1.0148 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 1.3305 -1.3234 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -0.7939 1.7359 S SKP 8 ID FLIAFLNI0001 KNApSAcK_ID C00009914 NAME 6-Prenylisocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone CAS_RN 132923-42-3 FORMULA C24H26O8 EXACTMASS 442.162767808 AVERAGEMASS 442.45844 SMILES O(C)c(c31)c(O)c(CC=C(C)C)c(c1C(=O)C(=CO3)c(c2OC)cc(c(c2)OC)OC)O M END
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