Mol:FL3FACGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.5406 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 -0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 -0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 0.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 -1.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6133 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6133 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -1.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 2.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 0.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7304 -0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 -0.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 -0.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4531 -1.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 -0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3482 -2.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -2.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7046 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7712 1.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 -1.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 -0.8775 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 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 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 25 18 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 31 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 30 1 0 0 0 0 39 38 1 0 0 0 0 27 38 1 0 0 0 0 32 40 1 0 0 0 0 40 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 43 M SMT 1 ^ CH2OH M SBV 1 43 0.4862 -0.4837 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 44 M SMT 2 CH2OH M SBV 2 44 -0.0107 -0.4090 S SKP 5 ID FL3FACGS0022 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(C(=O)5)(c1OC(=C5)c(c4)cc(c(c4)O)O)c(O)cc(OC(O2)C(OC(O3)C(O)C(O)(C3)CO)C(O)C(C(CO)2)O)c1 M END