Mol:LBF20206HP01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 1 0 0 0 0 0999 V2000 0.0959 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9209 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 0.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9443 0.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 -0.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1479 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9849 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1683 0.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 0.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3105 1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9533 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 -1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0162 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 -1.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0162 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1479 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 1 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 4 0 0 0 1 7 1 4 0 0 0 6 28 1 0 0 0 0 8 29 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 4 0 0 0 13 14 1 0 0 0 0 2 14 1 4 0 0 0 12 3 1 0 0 0 0 3 15 1 4 0 0 0 15 16 1 0 0 0 0 9 17 1 0 0 0 0 10 20 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 3 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 4 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 8 28 2 0 0 0 0 9 29 2 0 0 0 0 S SKP 5 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 M END