Mol:FL1AAAGS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -2.2454 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 0.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 1.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 2.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1964 0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4505 2.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6859 1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 2.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6898 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0381 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2248 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 0.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5587 0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8447 0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3436 -0.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4327 -0.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 0.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9126 2.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8447 2.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0019 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2598 -1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1551 -1.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 -1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4416 -2.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5036 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -1.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 8 11 2 0 0 0 0 11 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 19 1 1 0 0 0 19 20 1 1 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 15 31 1 0 0 0 0 29 21 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 33 40 1 0 0 0 0 32 41 1 0 0 0 0 36 28 1 0 0 0 0 S SKP 5 ID FL1AAAGS0004 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES c(c(=O)4)(c(oc(=Cc(c5)ccc(O)c5)4)1)c(OC(O3)C(C(C(C3CO)O)O)OC(C2O)OC(C)C(C2O)O)cc(O)c1 M END
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