Mol:FLIA1ACS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 43 0 0 0 0 0 0 0 0999 V2000 -0.9975 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -1.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -0.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -2.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 0.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 2.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 2.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6611 1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 -2.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 1.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0098 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8287 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7284 1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3675 0.7392 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 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 18 13 1 1 0 0 0 17 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 15 22 1 0 0 0 0 6 14 1 0 0 0 0 21 23 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 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 8 29 1 0 0 0 0 26 30 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 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 23 1 0 0 0 0 S SKP 5 ID FLIA1ACS0005 FORMULA C26H28O13 EXACTMASS 548.152990982 AVERAGEMASS 548.49272 SMILES c(c5)(c(c(c(O)c5)C(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C3O)1)C(C(c(c2)ccc(O)c2)=CO1)=O M END