Mol:FL2FABNI0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.4207 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4207 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1419 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6628 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6628 -0.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1419 -0.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1419 -2.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -0.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9807 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9807 -2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7854 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 0.0285 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 1 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 5 25 1 0 0 0 0 16 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 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 -6.3957 3.1717 S SKP 8 ID FL2FABNI0003 KNApSAcK_ID C00008494 NAME Lespedezaflavanone F CAS_RN 145399-96-8 FORMULA C27H32O5 EXACTMASS 436.224974134 AVERAGEMASS 436.53998 SMILES c(c1C)(O)c(CC=C(C)C)c(c(C3=O)c(OC(C3)c(c2)ccc(c(CC=C(C)C)2)OC)1)O M END
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