Mol:FL5FACGS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.5891 1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 1.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 1.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 -0.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 1.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 -0.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 2.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1431 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -2.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1431 -2.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0983 -0.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3694 -2.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 -3.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5051 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7235 0.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 -0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8922 -0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4198 0.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 3.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 0.6418 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 19 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 32 37 1 0 0 0 0 33 38 1 0 0 0 0 28 31 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 41 42 1 0 0 0 0 35 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -0.6948 -0.3361 S SKP 5 ID FL5FACGS0024 FORMULA C26H28O16 EXACTMASS 596.137734848 AVERAGEMASS 596.49092 SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)OC(O1)C(OC(C(O)2)OC(C(O)C(O)2)CO)C(O)C(C1)O M END