Mol:FL3FADCS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -1.8768 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -0.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -0.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2225 -2.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 -0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5151 0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 0.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4844 -0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 0.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 1.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6688 1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 2.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 2.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1211 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8734 1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6654 1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 1.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6654 2.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 1.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 2.8429 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 3 12 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 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 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 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 23 30 1 0 0 0 0 22 6 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 35 36 1 0 0 0 0 17 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 39 M SMT 1 OCH3 M SBV 1 39 -0.3684 -0.7317 S SKP 5 ID FL3FADCS0004 FORMULA C24H24O12 EXACTMASS 504.126776232 AVERAGEMASS 504.44016 SMILES C(C(C(O)1)OC(c(c2O)c(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)OC)c(O)c2)C(O)C1O)OC(C)=O M END