Mol:FL5FFAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.7790 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 -1.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7933 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7933 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 0.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 -1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8719 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0645 1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3023 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5494 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1533 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8719 0.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5494 1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -0.6611 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 6 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 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 18 27 1 0 0 0 0 S SKP 5 ID FL5FFAGS0001 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES C(O1)(Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)ccc(O)c2)=O)O)C(O)C(C(O)C1)O M END