Mol:FL5FDCGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.4679 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4679 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3898 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3898 -1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -1.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -3.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -3.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1821 0.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6184 3.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 2.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 1.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 3.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 3.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7377 1.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -3.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6141 -3.8530 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 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 16 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 21 25 1 0 0 0 0 31 32 1 0 0 0 0 8 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 -1.1122 0.6421 S SKP 5 ID FL5FDCGS0006 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c1)c(O)c(OC(O4)C(O)C(C(O)C4)O)cc1C(=C3OC)Oc(c2)c(C3=O)c(cc(O)2)O M END