Mol:FL6F1CNI0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -0.3362 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 -0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 -1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 -0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3783 0.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8072 0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8072 1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 0.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4796 -1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 -1.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 -2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9493 -2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 1.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 2.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 2.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 -1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 -2.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 -0.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9086 -2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 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 1 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 2 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 4 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 14 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 30 13 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 S SKP 8 ID FL6F1CNI0003 KNApSAcK_ID C00013247 NAME Kazinol Q;(+)-4-[6-(1,1-Dimethyl-2-propenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-2-yl]-3,6-bis(3-methyl-2-butenyl)-1,2-benzenediol CAS_RN 219908-10-8 FORMULA C30H38O4 EXACTMASS 462.27700970399997 AVERAGEMASS 462.62032 SMILES c(c1CC=C(C)C)(C(O2)CCc(c3)c(cc(c(C(C)(C)C=C)3)O)2)cc(c(c1O)O)CC=C(C)C M END
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