Mol:FL5FFAGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.3358 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 -0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 -1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 -0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 -2.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -0.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 -2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 1.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 0.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8651 -0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8651 1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 1.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4161 1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 2.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3729 0.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 6 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 23 32 1 0 0 0 0 24 18 1 0 0 0 0 S SKP 5 ID FL5FFAGS0003 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c4)c(ccc(O)4)C(O3)=C(C(c(c32)c(O)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1)=O)O M END