Mol:FL3FAADS0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 -0.6039 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8133 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8133 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 -0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 -1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8432 0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8432 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3362 2.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -0.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 -1.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 -0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9707 -0.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -0.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3906 0.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 1.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 -1.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8228 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -2.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5092 -1.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 -1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2465 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3279 -1.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8686 -2.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0796 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4326 1.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7758 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1191 0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 1.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 0.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4153 0.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 0.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3838 -1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3362 -0.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1047 1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 2.0238 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 2 23 1 0 0 0 0 1 28 1 0 0 0 0 22 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 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 29 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 42 28 1 0 0 0 0 48 49 1 0 0 0 0 35 48 1 0 0 0 0 50 51 1 0 0 0 0 44 50 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 48 49 M SBL 1 1 54 M SMT 1 ^ CH2OH M SBV 1 54 0.4279 -0.4279 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 50 51 M SBL 2 1 56 M SMT 2 ^ CH2OH M SBV 2 56 0.5391 -0.5391 S SKP 5 ID FL3FAADS0013 FORMULA C32H38O19 EXACTMASS 726.200729034 AVERAGEMASS 726.6327200000001 SMILES C(C1O)(OC(Oc(c(C(O6)C(C(O)C(O)C6)OC(O5)C(O)C(C(O)C5CO)O)2)cc(O3)c(C(C=C3c(c4)ccc(c4)O)=O)c2O)C(C1O)O)CO M END
</pre>