Mol:LBF20205PG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 6.2859 2.5777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4769 1.9899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7859 1.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9769 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 -1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 -2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -3.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2428 -4.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -4.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 3.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 3.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1590 4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 1.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2859 2.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6237 2.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 -5.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 6 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 19 20 1 0 0 0 0 4 19 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 3 6 1 6 0 0 0 6 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 11 1 0 0 0 0 11 12 1 0 0 0 0 2 13 1 1 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 21 1 6 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 S SKP 5 ID LBF20205PG01 FORMULA C18H30O5 EXACTMASS 326.20932407 AVERAGEMASS 326.4278 SMILES [C@@H]([C@@H]2CCCCCCC(O)=O)(O1)C[C@H]([C@@H]2C=C[C@H](O)CCC)O1 M END