Mol:FL2FABNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.2001 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2001 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -0.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -2.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 -0.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -2.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 -0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 -0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 1.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 2.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 -0.1110 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 2 18 1 0 0 0 0 6 19 1 0 0 0 0 5 20 1 0 0 0 0 20 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 16 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 15 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SBV 1 33 -7.8764 3.9396 S SKP 8 ID FL2FABNI0006 KNApSAcK_ID C00008508 NAME 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone CAS_RN 151922-21-3 FORMULA C26H32O6 EXACTMASS 440.219888756 AVERAGEMASS 440.52867999999995 SMILES C(C(c(c3)ccc(c(CCC(C)(C)O)3)OC)1)C(c(c(O)2)c(c(CC=C(C)C)c(O)c2)O1)=O M END