Mol:LBF22207PG03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 27 0 0 0 0 0 0 0 0999 V2000 9.0858 4.1149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7768 3.1639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5858 2.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3948 3.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0858 4.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 2.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 3.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 3.2150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3884 3.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 3.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 3.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4518 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4518 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3179 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0499 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0499 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 2.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1839 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9159 -4.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 7 8 2 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 7 1 1 0 0 0 6 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 4 23 2 0 0 0 0 1 25 1 6 0 0 0 3 6 1 6 0 0 0 9 24 1 1 0 0 0 20 21 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 21 22 1 0 0 0 0 S SKP 5 ID LBF22207PG03 FORMULA C22H38O5 EXACTMASS 382.271924326 AVERAGEMASS 382.53412000000003 SMILES C(CCC(O)=O)CCCCC[C@H]([C@@H](C=C[C@H](CCCCC)O)1)C(C[C@@H](O)1)=O M END