Mol:FL5FALNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -1.1289 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6761 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3531 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1287 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1287 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6848 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2409 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6848 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3531 0.3213 0.0000 O 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 1 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 24 30 1 0 0 0 0 24 31 2 0 0 0 0 17 32 1 0 0 0 0 27 33 1 0 0 0 0 S SKP 8 ID FL5FALNI0002 KNApSAcK_ID C00005022 NAME Kushenol G CAS_RN 99119-71-8 FORMULA C25H28O8 EXACTMASS 456.17841787199995 AVERAGEMASS 456.48502 SMILES c(c1C(=C(O)3)Oc(c2CC(CCC(C)(C)O)C(C)=C)c(C3=O)c(cc(O)2)O)(cc(cc1)O)O M END
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