Mol:FL7AACGL0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.7876 1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7876 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3772 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3772 1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 1.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 1.9755 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.2623 1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 3.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 0.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8805 -0.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4725 0.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0599 1.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 0.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 1.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 3.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 1.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -2.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8711 -2.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -2.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4924 -1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 -1.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 -1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3072 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 -2.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1713 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -3.2128 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 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 8 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 19 17 1 0 0 0 0 18 24 1 0 0 0 0 23 25 1 0 0 0 0 22 26 1 0 0 0 0 21 27 1 0 0 0 0 1 28 1 0 0 0 0 3 29 1 0 0 0 0 14 30 1 0 0 0 0 13 31 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 36 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 39 27 1 0 0 0 0 35 42 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGL0002 FORMULA C27H31O15 EXACTMASS 595.166295322 AVERAGEMASS 595.52604 SMILES Oc(c(O)1)ccc(c([o+1]2)c(OC(O4)C(O)C(O)C(O)C4COC(O5)C(C(O)C(O)C5C)O)cc(c3O)c2cc(O)c3)c1 M END
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