Mol:FL5FCCGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.9066 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9066 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1921 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4777 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1921 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0487 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0487 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 1.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 -0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 2.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1921 -0.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9629 2.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7593 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2595 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7744 -1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2595 -2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0341 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1305 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0630 -1.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1258 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8144 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3303 -0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7900 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2691 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6191 -0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8083 -0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2820 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 3.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3303 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6400 1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2820 2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -3.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7350 -3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9353 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7905 1.6147 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
20 8 1 0 0 0 0
4 3 1 0 0 0 0
21 22 1 0 0 0 0
22 23 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
24 23 1 1 0 0 0
22 20 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
32 36 1 0 0 0 0
27 30 1 0 0 0 0
33 37 1 0 0 0 0
16 38 1 0 0 0 0
31 39 1 0 0 0 0
40 41 1 0 0 0 0
1 40 1 0 0 0 0
42 43 1 0 0 0 0
24 42 1 0 0 0 0
44 45 1 0 0 0 0
34 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ OCH3
M SBV 1 45 0.7334 -0.4234
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 CH2OH
M SBV 2 47 0.0000 1.2911
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 CH2OH
M SBV 3 49 -0.6662 -0.1502
S SKP 5
ID FL5FCCGS0005
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES O(C1OC(C2OC(=C4c(c5)cc(c(c5)O)O)C(c(c(O4)3)c(cc(c3)OC)O)=O)C(C(O)C(CO)O2)O)C(C(C(O)C(O)1)O)CO
M END
