Mol:FL3FAACS0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -1.6559 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6559 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -0.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 -2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5025 2.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 2.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 1.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9416 0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 1.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 0.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 -2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5012 -0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5012 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8525 1.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5069 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0098 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6968 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 1.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1846 2.6910 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 6 16 1 4 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 22 9 1 0 0 0 0 25 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 32 20 1 0 0 0 0 13 39 1 0 0 0 0 S SKP 5 ID FL3FAACS0042 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES C(O2)(c(c53)c(cc(O)c3C(=O)C=C(O5)c(c4)ccc(O)c4)O)C(C(C(C2)O)O)OC(O1)C(O)C(O)C(C1C)O M END