Mol:FL5FECGS0065
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 4.0384 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0384 2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7527 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7527 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4661 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -0.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4661 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3239 -0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4661 -1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 2.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0384 3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 -0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3085 -2.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6763 -2.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 -2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 -2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6221 -1.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 -2.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 -3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3198 -2.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 -1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9695 -2.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 -1.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7586 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5348 -0.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4672 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -2.5645 0.0000 O 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 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 19 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 20 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 40 39 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 40 33 1 0 0 0 0 S SKP 5 ID FL5FECGS0065 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES c(c(OC)3)(OC(C(O)5)OC(C(C(O)5)O)COC(O4)C(O)C(O)C(C4)O)c(C1=O)c(cc3O)OC(c(c2)cc(O)c(c2)O)=C1OC M END
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