Mol:FL5FACGA0012
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.3474 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -1.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 1.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 1.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 -1.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 2.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 -0.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 0.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 3.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3454 -0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 -1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 -1.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 -1.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9753 -1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7302 -0.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7645 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6012 0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9387 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 1.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0207 0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9219 0.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 0.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3443 -1.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 -3.0711 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 16 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 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 20 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 21 1 0 0 0 0 41 42 1 0 0 0 0 26 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -1.1902 -0.0586 S SKP 5 ID FL5FACGA0012 FORMULA C26H28O16 EXACTMASS 596.137734848 AVERAGEMASS 596.49092 SMILES O=C(c12)C(OC(C(O)5)OC(C(C(O)5)O)CO)=C(c(c4)ccc(O)c4O)Oc(cc(OC(O3)C(O)C(O)C(O)C3)cc(O)2)1 M END
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