Mol:FL5FEAGS0024
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 1.9993 2.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4283 1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4283 2.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 2.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 1.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 -0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 -0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 1.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 2.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 -0.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6769 0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 -1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1892 -1.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 -1.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -2.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 -2.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7217 -1.7282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 -1.2937 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 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 20 23 1 0 0 0 0 19 24 1 0 0 0 0 21 25 1 0 0 0 0 18 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 28 35 1 0 0 0 0 27 36 1 0 0 0 0 31 22 1 0 0 0 0 S SKP 5 ID FL5FEAGS0024 FORMULA C25H28O11 EXACTMASS 504.163161738 AVERAGEMASS 504.48322 SMILES C(C)(C(O)1)OC(Oc(c(OC)4)c(OC)c(c2c4)C(C(OC)=C(c(c3)ccc(c3)OC)O2)=O)C(O)C(O)1 M END
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