Mol:FLIA1AGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-1.0254 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3109 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4033 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4033 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 0.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0254 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3109 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 -1.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6251 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6251 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3333 -2.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0414 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0414 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3333 -0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7223 -2.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6819 0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9878 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5277 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8652 -0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2260 -0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 0.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3673 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7223 0.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2551 -0.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2368 -0.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8646 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4934 2.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9149 1.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5918 2.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6065 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9149 2.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 1.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8646 1.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6161 1.7866 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 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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
18 15 1 0 0 0 0
1 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
22 28 1 0 0 0 0
25 29 1 0 0 0 0
19 23 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 30 1 0 0 0 0
31 35 1 0 0 0 0
32 36 1 0 0 0 0
30 37 1 0 0 0 0
37 29 1 0 0 0 0
38 39 1 0 0 0 0
32 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 CH2OH
M SBV 1 43 0.0000 0.5160
S SKP 5
ID FLIA1AGS0010
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES C(C1OCC(O2)C(C(O)C(O)C2Oc(c3)cc(O5)c(C(=O)C(=C5)c(c4)ccc(O)c4)c3)O)(C(CO)(CO1)O)O
M END
