Mol:FL6F1CNI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 36 0 0 0 0 0 0 0 0999 V2000 -2.1990 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5301 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5301 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 0.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2832 1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 1.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 -1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4131 -1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5718 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1332 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -1.9498 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 6 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 1 17 1 0 0 0 0 18 14 1 0 0 0 0 15 19 1 0 0 0 0 13 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 2 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 27 29 2 0 0 0 0 12 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL6F1CNI0002 KNApSAcK_ID C00008789 NAME Kazinol E CAS_RN 104494-34-0 FORMULA C30H38O4 EXACTMASS 462.27700970399997 AVERAGEMASS 462.62032 SMILES C(=CCc(c(O)3)c(c(cc3O)C(O2)CCc(c12)cc(C(C)(C)C=C)c(c1)O)CC=C(C)C)(C)C M END
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