Mol:FL2FALNI0019
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -1.0472 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0364 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0364 -0.3006 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5155 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0911 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0911 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 -1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 0.9023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5680 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9858 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0472 1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5268 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1995 1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 2.1016 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 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 6 1 0 0 0 0 15 23 1 0 0 0 0 21 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 20 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 17 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 1.1995 1.2356 S SKP 8 ID FL2FALNI0019 KNApSAcK_ID C00008521 NAME Leachianone D CAS_RN 140614-59-1 FORMULA C26H30O7 EXACTMASS 454.199153314 AVERAGEMASS 454.5122 SMILES c(c3)(OC)c(ccc3O)C(O1)CC(c(c2O)c1c(c(O)c2)CC(C=CC(C)(C)O)C(C)=C)=O M END
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