Mol:FL5FDAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 2.8502 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8134 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0244 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 0.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5386 0.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2521 1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 1.2988 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 19 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 26 18 1 0 0 0 0 S SKP 5 ID FL5FDAGS0005 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(c4)O)3)OC)=O)c(O)cc1OC(O2)C(O)C(C(O)C2C(O)=O)O M END