Mol:FL1DAAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.8092 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2144 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2144 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 3.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7507 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 3.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 -0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9863 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8983 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -1.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 -2.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6674 -1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -2.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4368 -3.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 7 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 19 1 0 0 0 0 22 27 1 0 0 0 0 21 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 S SKP 5 ID FL1DAAGS0001 FORMULA C21H24O9 EXACTMASS 420.14203236599997 AVERAGEMASS 420.40986 SMILES Oc(c3)ccc(c3)CCC(=O)c(c1OC(O2)C(O)C(O)C(O)C(C)2)c(cc(O)c1)O M END