Mol:FLIAALNP0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.6385 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 -1.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -1.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1946 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 -1.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5261 1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5261 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 2.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5261 2.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -2.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0644 -2.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 -2.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 -3.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 12 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 OCH3 M SVB 2 36 0.4283 -1.7458 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 2.5693 -2.0215 S SKP 8 ID FLIAALNP0011 KNApSAcK_ID C00009529 NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone CAS_RN 78876-32-1 FORMULA C27H32O7 EXACTMASS 468.214803378 AVERAGEMASS 468.53878 SMILES CC(C)(O)CCc(c42)c(c1c(O)c2C(C(=CO4)c(c3)c(cc(c3)OC)OC)=O)OC(CC1)(C)C M END