Mol:FL3FAACS0093
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
1.6031 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8887 -0.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8887 -2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6031 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2547 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2547 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8887 -2.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9452 -0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -2.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3613 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0758 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7903 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7903 0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0758 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3613 0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4268 0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9279 -1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5153 -2.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7169 -1.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9236 -2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 -1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1344 -1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2676 -2.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1502 -2.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4268 -1.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9749 2.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4888 1.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0018 0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9223 0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4083 0.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8952 1.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5781 1.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6556 2.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3674 2.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6207 2.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3431 0.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0239 2.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2930 2.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2702 2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 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
8 12 1 0 0 0 0
10 13 1 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 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
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
24 9 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
35 36 1 0 0 0 0
36 37 1 0 0 0 0
30 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
7 33 1 0 0 0 0
37 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
S SKP 5
ID FL3FAACS0093
FORMULA C28H30O15
EXACTMASS 606.15847029
AVERAGEMASS 606.5288
SMILES OC(C(O)1)C(c(c34)c(c(c(c3C(=O)C=C(c(c5)ccc(c5)O)O4)O)C(C(O)2)OCC(O)C2O)O)OC(C1O)COC(C)=O
M END
