Mol:FL5FAAGS0064
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.7129 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7129 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9984 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9984 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4305 -0.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1450 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1450 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4305 0.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4305 -1.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9002 0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6284 0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6284 2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9002 1.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9984 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1360 2.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4254 0.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8852 -0.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9227 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1807 0.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4161 1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1807 2.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9227 2.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6873 1.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7496 3.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2472 3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4666 2.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7295 1.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6110 -0.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7296 -0.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2794 -1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1596 -1.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0849 -1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7296 -1.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6177 -0.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3602 -0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7295 -0.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7110 0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0849 -2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6719 -3.4325 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 20 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 32 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
34 21 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
42 43 1 0 0 0 0
36 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 CH2OH
M SBV 1 47 0.0000 0.6497
S SKP 5
ID FL5FAAGS0064
FORMULA C28H30O15
EXACTMASS 606.15847029
AVERAGEMASS 606.5288
SMILES OC(C1Oc(c2)cc(O)c(C(=O)3)c2OC(c(c5)ccc(c5)O)=C3OC(O4)C(C(OC(C)=O)C4CO)O)C(C(C(O1)C)O)O
M END
