Mol:FL1DQUNM0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 -1.5558 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8511 -0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 5 8 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 12 1 0 0 0 0 9 18 2 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 1 21 2 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 S SKP 8 ID FL1DQUNM0002 KNApSAcK_ID C00007980 NAME Grandiflorone CAS_RN 50861-53-5 FORMULA C19H22O4 EXACTMASS 314.151809192 AVERAGEMASS 314.37558 SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)CCc(c1)cccc1 M END
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