Mol:FL2FALNI0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.6026 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5608 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 -0.3380 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0399 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 -1.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5321 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0817 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2015 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6693 -0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2015 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6693 -0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4597 1.1469 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 17 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 15 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 6 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 SVB 1 33 -2.9598 0.2808 S SKP 8 ID FL2FALNI0026 KNApSAcK_ID C00008543 NAME Maackiaflavanone CAS_RN 156162-10-6 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES O=C(c12)CC(c(c3)c(O)cc(c(CC=C(C)C)3)O)Oc1c(CC=C(C)C)c(cc2O)OC M END