Mol:FL5FAAGS0108
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 0.1446 3.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1446 2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 2.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5737 3.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 4.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 2.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 2.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 2.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4278 2.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4278 1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1424 2.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 1.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 0.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -1.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 -2.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -2.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1479 -2.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 -1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 -0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 -1.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 0.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4105 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0781 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -0.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 -0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 -1.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -0.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -2.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -2.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 -3.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 -3.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -3.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 -2.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 -2.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 -4.0693 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 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 19 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 50 53 1 0 0 0 0 43 39 1 0 0 0 0 22 41 1 0 0 0 0 S SKP 5 ID FL5FAAGS0108 FORMULA C39H32O14 EXACTMASS 724.179205732 AVERAGEMASS 724.6629800000001 SMILES c(c6)(ccc(c6)O)C=CC(OC(C(O)4)C(OC(C)C4OC(C=Cc(c5)ccc(O)c5)=O)OC(=C1c(c3)ccc(O)c3)C(=O)c(c2O)c(cc(c2)O)O1)=O M END
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