Mol:FL3FEAGS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.0755 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0755 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3744 -1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3265 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3265 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3744 0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0276 -1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7288 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7288 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0276 0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0276 -1.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4296 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4296 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3744 -1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6896 0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8858 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3915 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5593 0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2971 0.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0336 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6985 0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2663 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7728 -0.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5493 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2985 1.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1708 1.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4270 1.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6686 -0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8943 -1.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5881 1.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6985 1.2149 0.0000 C 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
18 3 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 25 1 0 0 0 0
25 21 1 0 0 0 0
21 26 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
19 23 1 1 0 0 0
19 24 1 0 0 0 0
25 29 1 0 0 0 0
29 30 2 0 0 0 0
31 32 1 0 0 0 0
29 31 1 0 0 0 0
33 34 1 0 0 0 0
2 33 1 0 0 0 0
35 36 1 0 0 0 0
15 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -0.3785 -0.6760
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 ^ OCH3
M SBV 2 37 0.5931 0.3424
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 39
M SMT 3 OCH3
M SBV 3 39 -0.7296 -0.4212
S SKP 5
ID FL3FEAGS0023
FORMULA C24H24O12
EXACTMASS 504.126776232
AVERAGEMASS 504.44016
SMILES O(C(Oc(c4OC)cc(c(c4O)2)OC(c(c3)ccc(c3)OC)=CC(=O)2)1)C(C(OC)=O)C(O)C(C(O)1)O
M END
