Mol:LBF20206HP01
Copyright: ARM project http://www.metabolome.jp/
29 30 0 0 0 0 0 0 0 0999 V2000 6.8541 -0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1396 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7131 -0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 0.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 0.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2425 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 -1.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -1.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0036 1.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2499 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1626 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5686 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1396 0.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4568 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1712 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9962 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4252 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1397 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8541 -0.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5686 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 7 1 0 8 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 16 19 1 0 1 20 1 0 2 21 2 0 19 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0
S SKP 6 ID LBF20206HP01 FORMULA C21H34O8 EXACTMASS 414.225368064 AVERAGEMASS 414.48986 SMILES C(CC=CC=CC(C1)OOC(C(O2)CC(O2)C(OO)CCCC(OC)=O)1)CCC AUTODRAW FALSE M END
