Mol:FL3FECGS0042
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 2.3274 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3274 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0419 2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6129 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6129 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 -1.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0952 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6778 -1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4619 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -0.2620 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 24 29 1 0 0 0 0 23 30 1 0 0 0 0 22 31 1 0 0 0 0 15 32 1 0 0 0 0 26 32 1 0 0 0 0 S SKP 5 ID FL3FECGS0042 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(O)C(O)C(C)4)OC1c(c2)cc(c(O)c2)O M END
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