Mol:FL3FAACS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.7288 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 0.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 -1.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -1.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 -0.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 0.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 -0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 0.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 0.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1375 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.7423 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 3 11 1 0 0 0 0 1 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 7 20 2 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 22 2 1 0 0 0 0 S SKP 5 ID FL3FAACS0007 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 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