Mol:FL3FACCS0027
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.3049 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 -0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 -0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 -1.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9219 1.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 -1.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3482 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 2.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3482 2.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6073 2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6088 -0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0943 -0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -0.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9429 -0.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 -0.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0874 -1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 -2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 -1.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1316 -2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 -1.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 -1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 -2.4186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1302 -2.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6073 0.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6073 0.6779 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 3 13 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 14 9 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 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 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 29 1 0 0 0 0 24 2 1 0 0 0 0 16 40 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 0.4892 -0.5105 S SKP 5 ID FL3FACCS0027 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(c1)c(c(cc1C(=C5)Oc(c4)c(C5=O)c(c(c4O)C(C(OC(C(O)3)OC(C)C(C(O)3)O)2)OC(C(O)C2O)CO)O)O)O M END
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