Mol:FL5FACGS0047
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.1953 0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7664 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7664 0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 1.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 1.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -1.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 2.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 -0.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 3.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 -0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 0.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 0.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 -0.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 -0.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -1.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 -1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 -2.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -2.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 -1.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 -2.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -3.4454 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 21 23 1 0 0 0 0 26 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 S SKP 5 ID FL5FACGS0047 FORMULA C27H22O15 EXACTMASS 586.095870034 AVERAGEMASS 586.4545800000001 SMILES c(c(O)5)cc(cc5O)C(=C1OC(C(OC(c(c4)cc(O)c(O)c(O)4)=O)3)OCC(C(O)3)O)Oc(c2)c(c(O)cc2O)C1=O M END
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