Mol:FL5FAAGL0073
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -3.9445 3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5156 3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 3.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8011 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8011 3.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8011 1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 3.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 3.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2693 4.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 5.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 4.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 1.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 5.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5802 3.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 -3.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 -4.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 -3.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -4.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -4.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 -3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 -4.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 -5.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -5.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2754 -4.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2726 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 -1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 1.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 -2.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0459 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 -3.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 1.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 3.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 3.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 3.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 2.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 1.8384 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 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 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 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 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 21 1 0 0 0 0 22 43 1 0 0 0 0 43 42 1 0 0 0 0 4 3 1 0 0 0 0 39 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 44 54 2 0 0 0 0 S SKP 5 ID FL5FAAGL0073 FORMULA C39H32O15 EXACTMASS 740.174120354 AVERAGEMASS 740.66238 SMILES Oc(c6)ccc(c6)C=CC(OCC(C(O)2)OC(OC(=C4c(c5)ccc(c5)O)C(c(c3O4)c(cc(c3)O)O)=O)C(C2O)OC(=O)C=Cc(c1)ccc(c1)O)=O M END