Mol:FL3FACGS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 0.9147 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9147 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4594 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4594 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -2.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 -0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 -2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9635 0.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6516 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 -1.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7459 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 0.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7263 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0177 1.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 2.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4512 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9635 0.2724 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 27 31 1 0 0 0 0 25 18 1 0 0 0 0 32 31 1 0 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 37 1 0 0 0 0 37 38 1 1 0 0 0 38 33 1 1 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 38 41 1 0 0 0 0 33 42 1 0 0 0 0 34 32 1 0 0 0 0 S SKP 5 ID FL3FACGS0023 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES O(C1C)C(OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c54)C(=O)C=C(O4)c(c3)cc(c(c3)O)O)2)O)C(C(O)C(O)1)O M END