Mol:FL3FAACS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.9160 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 1.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3402 -1.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2767 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2767 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 2.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 2.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 -1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4332 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 -1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0049 -0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9976 -2.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8522 -2.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -0.4089 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 3 12 1 0 0 0 0 1 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 9 14 1 0 0 0 0 17 20 1 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 23 27 1 0 0 0 0 22 28 2 0 0 0 0 21 29 1 0 0 0 0 24 30 1 0 0 0 0 2 25 1 0 0 0 0 S SKP 5 ID FL3FAACS0005 FORMULA C21H18O9 EXACTMASS 414.095082174 AVERAGEMASS 414.36222 SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(C)C(=O)C2O)O)c1 M END