Mol:FL2F1ANI0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9629 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 1.8774 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 18 1 1 0 0 0 0 14 19 1 0 0 0 0 6 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 S SKP 8 ID FL2F1ANI0003 KNApSAcK_ID C00008197 NAME Isobavachin CAS_RN 31524-62-6 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES Oc(c1)ccc(C(C2)Oc(c(CC=C(C)C)3)c(ccc3O)C(=O)2)c1 M END
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