Mol:FL3FABGS0018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.1053 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6092 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6092 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 -0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4671 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4671 1.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -1.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6092 -1.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6423 1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2836 1.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -0.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5484 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 -0.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8756 0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9267 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 -0.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1159 -1.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1017 -0.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8056 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8056 -1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6216 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7894 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1709 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6216 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2117 -0.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 -0.2645 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 2 0 0 0 0 9 10 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 19 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 20 1 0 0 0 0 39 33 1 1 0 0 0 38 33 1 1 0 0 0 37 39 1 1 0 0 0 33 34 1 0 0 0 0 39 35 1 0 0 0 0 40 37 1 0 0 0 0 36 41 1 0 0 0 0 38 40 1 0 0 0 0 33 36 1 0 0 0 0 29 37 1 0 0 0 0 S SKP 5 ID FL3FABGS0018 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES c(c5OC)cc(cc5)C(=C4)Oc(c1)c(C4=O)c(O)cc1OC(C(O)2)OC(COC(C3O)OCC3(CO)O)C(O)C2O M END
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