Mol:FL5FACGS0046
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.5899 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5899 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 -0.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 1.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 2.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 -0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2255 2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2255 1.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0562 -0.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -1.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -1.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8698 -1.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4614 -1.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9378 -1.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4614 -2.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 3.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 -3.7869 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 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 22 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 21 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 16 32 1 0 0 0 0 33 34 1 0 0 0 0 22 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 CH2OH M SBV 1 37 -0.5810 0.5810 S SKP 5 ID FL5FACGS0046 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(C2O)OC(CO)C2OC(C)=O)1)cc(c(c1)O)O M END