Mol:LBF22107PG02
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000 1.3469 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7761 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6322 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 -0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 -0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0538 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -0.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 1.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9742 -1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2051 0.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 9 8 1 6 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 9 1 0 13 14 1 1 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 10 22 2 0 12 23 1 6 3 24 1 0 24 25 1 0 24 26 2 0 16 27 1 6
S SKP 6 ID LBF22107PG02 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 AUTODRAW FALSE M END
