Mol:FLIA3AGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -3.3453 0.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9159 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2805 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 0.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9159 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 -2.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2212 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9066 1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 2.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8199 3.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6631 2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 1.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9262 1.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5505 -2.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 -3.4283 0.0000 C 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 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 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 28 3 1 0 0 0 0 29 30 1 0 0 0 0 16 29 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 33 M SMT 1 OCH3 M SBV 1 33 -1.1127 0.6422 S SKP 5 ID FLIA3AGS0005 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES c(c4)c(ccc(OC)4)C(C(=O)1)=COc(c2OC(O3)C(O)C(C(O)C3)O)c1ccc(O)2 M END