Mol:LBF20107PG24
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000 2.0614 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7761 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7761 1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0056 0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4906 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0056 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5064 -0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2606 1.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2597 -1.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 10 9 1 6 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 10 1 0 14 15 1 1 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 11 23 2 0 13 24 1 6 17 25 1 6 18 26 1 0 18 27 1 0
S SKP 6 ID LBF20107PG24 FORMULA C22H38O5 EXACTMASS 382.271924326 AVERAGEMASS 382.53412000000003 SMILES [C@@H]([C@@H]1C=C[C@@H](C(CCCC)(C)C)O)(CC(=O)[C@@H]1CCCCCCC(O)=O)O AUTODRAW FALSE M END
