Mol:FL5FCAGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.7539 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7539 0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0444 0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3350 0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3350 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0444 2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0838 0.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0838 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 -0.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7930 2.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5159 1.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2390 2.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2390 2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5159 3.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7930 2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8262 0.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0444 -0.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0474 3.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2908 -0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5475 -0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7835 -1.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5475 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2908 -2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0550 -1.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1832 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6036 -2.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0191 -3.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4466 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1453 0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0743 0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7755 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5793 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1453 0.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0743 0.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 -2.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7288 -3.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4529 2.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0905 3.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0743 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0905 -0.8890 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
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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 18 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
30 27 1 0 0 0 0
32 36 1 0 0 0 0
37 38 1 0 0 0 0
24 37 1 0 0 0 0
39 40 1 0 0 0 0
1 39 1 0 0 0 0
41 42 1 0 0 0 0
32 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 42
M SMT 1 ^ CH2OH
M SBV 1 42 0.0133 0.7750
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 39 40
M SBL 2 1 44
M SMT 2 ^ OCH3
M SBV 2 44 0.6991 -0.4036
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 41 42
M SBL 3 1 46
M SMT 3 CH2OH
M SBV 3 46 0.0000 0.6394
S SKP 5
ID FL5FCAGL0002
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(OC(C3=O)=C(c(c5)ccc(c5)O)Oc(c4)c(c(O)cc4OC)3)(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO
M END
