Mol:FL7AAHGO0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.6560 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -0.2113 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.9161 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 -0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3702 -0.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 1.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 -2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 -2.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8281 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 -2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 -2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -1.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 2.8580 0.0000 C 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 13 30 1 0 0 0 0 31 32 1 0 0 0 0 15 31 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 OCH3 M SBV 1 35 0.0058 -0.6560 S SKP 5 ID FL7AAHGS0001 FORMULA C21H21O11 EXACTMASS 449.108386514 AVERAGEMASS 449.38484 SMILES C(O1)(Oc(c(c(c4)cc(OC)c(O)c(O)4)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O M END
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