Mol:FL3FACGM0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5148 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 1.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 2.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 2.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 -0.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1337 2.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2316 1.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -2.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -1.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 -2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8768 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1337 -2.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1074 -3.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -3.7508 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 15 19 1 0 0 0 0 20 1 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 18 1 0 0 0 0 S SKP 5 ID FL3FACGM0001 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES c(c3)(cc(O1)c(c3OC(O4)C(C(C(O)C4C)O)O)C(C(C)=C(c(c2)ccc(c2O)O)1)=O)O M END
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