Mol:LBF22309PG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 27 0 0 0 0 0 0 0 0999 V2000 10.7800 3.3447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4710 2.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2800 1.8058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0890 2.3936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7800 3.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2800 0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 2.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 2.4447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0826 3.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 3.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0121 -1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0121 -2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8781 -2.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8781 -3.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 2.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1922 4.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0121 -4.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7441 -4.1942 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 2 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 1 6 0 0 0 9 24 1 1 0 0 0 3 6 1 6 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 1 25 1 6 0 0 0 20 26 1 0 0 0 0 20 27 2 0 0 0 0 S SKP 5 ID LBF22309PG01 FORMULA C22H38O5 EXACTMASS 382.271924326 AVERAGEMASS 382.53412000000003 SMILES C(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O)CCCC M END