Mol:LBF20406CV14
Copyright: ARM project http://www.metabolome.jp/
26 26 0 0 0 0 0 0 0 0999 V2000 -1.1553 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6805 -2.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1655 -1.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6805 -0.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 0.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 1.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5665 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2785 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 -2.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9354 -0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 1.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 1.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4062 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 2.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 -1.4553 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 2 1 0 1 7 1 0 7 8 2 0 8 9 1 0 10 11 1 0 11 12 2 0 12 13 1 0 3 10 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 3 18 1 6 6 19 2 0 9 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 2 0 5 26 1 0
S SKP 6 ID LBF20406CV14 FORMULA C21H29ClO4 EXACTMASS 380.175437126 AVERAGEMASS 380.90525999999994 SMILES C(C(=O)1)(Cl)=C[C@](CC=CCCCCC)(C(=CC=CCCCC(OC)=O)1)O AUTODRAW FALSE M END
