Mol:FL3FECGS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.5292 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 1.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 2.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 2.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 3.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3223 2.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 1.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -0.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6548 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4961 -2.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7279 -1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8867 -2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0462 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3223 -2.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -3.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -3.7328 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 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 20 1 0 0 0 0 S SKP 5 ID FL3FECGS0004 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c4)c(cc(c(O)4)O)C(=C3)Oc(c(C(=O)3)1)cc(c(O)c1OC(O2)C(O)C(O)C(O)C(C)2)O M END
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