Mol:LBF10108BC01
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 18 17 0 0 1 0 0 0 0 0999 V2000 2.7363 -1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3238 1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 -0.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 -1.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 -2.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -3.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 -3.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 -3.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1577 2.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1202 3.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4739 2.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 3.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 1.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7363 2.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 17 1 0 0 0 0 1 9 1 4 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 1 17 2 0 0 0 0 3 18 1 0 0 0 0 S SKP 5 ID LBF10108BC01 FORMULA C16H30O2 EXACTMASS 254.22458020399998 AVERAGEMASS 254.4082 SMILES CCCCCCCC=C(CCCCCC)C(O)=O M END
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