Mol:FL3FACGS0021
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 0.2644 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 0.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 0.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 0.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 1.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 -1.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 2.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 -0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1994 -0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 0.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9731 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6707 -0.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 -0.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 0.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2614 0.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8324 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1233 -2.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1022 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 -1.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -1.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8759 -1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4475 -1.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9411 -2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -2.1879 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 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 30 1 0 0 0 0 S SKP 5 ID FL3FACGS0021 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES O(C1OC(C2Oc(c3)cc(c(C(=O)5)c3OC(=C5)c(c4)cc(c(c4)O)O)O)C(C(O)C(CO)O2)O)CC(C(O)C1O)O M END
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