Mol:FL5FAAGS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-2.0747 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0747 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3603 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6458 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6458 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3603 0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -0.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7830 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7830 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 0.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4972 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2253 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2253 2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4972 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3603 -1.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7889 0.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6814 2.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6419 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3955 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5888 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8448 1.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5888 2.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3955 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1397 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0601 3.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5888 3.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8227 2.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0757 1.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5895 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5550 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0267 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 -2.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1457 -1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5550 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5908 -0.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1582 -2.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0757 -3.4145 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 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 19 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
39 40 1 0 0 0 0
36 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.0125 1.0259
S SKP 5
ID FL5FAAGS0023
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c25)(O)cc(cc2OC(=C(C5=O)OC(C(O)4)OC(C(O)4)CO)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O
M END
