Mol:FL3FEAGS0045
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -0.0568 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9443 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9443 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7437 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4506 0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6572 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 0.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 -0.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8979 0.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0476 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 -0.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8366 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4557 -0.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2541 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3458 -0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6906 -0.2939 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 2 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 24 28 1 0 0 0 0 23 29 1 0 0 0 0 22 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 31 39 1 0 0 0 0 25 20 1 0 0 0 0 34 28 1 0 0 0 0 S SKP 5 ID FL3FEAGS0045 FORMULA C25H26O14 EXACTMASS 550.13225554 AVERAGEMASS 550.4655399999999 SMILES O(C(O4)C(OC(O5)C(O)C(O)C(O)C5)C(O)C(O)C4)c(c(O)3)cc(c(c(O)3)1)OC(c(c2)ccc(c2)O)=CC(=O)1 M END