Mol:FL3FAACS0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 2.5811 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -1.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 0.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7918 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7918 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 1.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9713 -1.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 -1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 -0.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -0.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 -1.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4808 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3061 0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7131 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6697 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2629 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9693 -1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3254 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 9 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 31 38 1 0 0 0 0 30 39 1 0 0 0 0 27 34 1 0 0 0 0 S SKP 5 ID FL3FAACS0076 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES c(c5)(ccc(c5)C(O4)=CC(c(c34)c(O)c(c(O)c3)C(O2)C(O)C(C(C2)OC(C1O)OC(C(C1O)O)C)O)=O)O M END