Mol:FL3FAACS0016
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -2.0480 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6192 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6192 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 0.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0967 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 2.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 2.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 2.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 3.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6947 1.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 -2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 0.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 0.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8616 1.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4487 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5522 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0415 -1.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7853 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 -3.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1421 2.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 1.1722 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 33 38 1 0 0 0 0 2 34 1 0 0 0 0 39 40 1 0 0 0 0 18 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -0.6311 -0.1417 S SKP 5 ID FL3FAACS0016 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c(c3C(O4)C(C(C(O)C4CO)O)O)2)C(=O)C=C(O2)c(c1)ccc(O)c1)O M END
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