Mol:FL5FAAGL0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 55 0 0 0 0 0 0 0 0999 V2000
-4.9805 0.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9805 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2795 -0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5784 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5784 0.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2795 1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8774 -0.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1764 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1764 0.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8774 1.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8774 -0.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0466 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0466 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 2.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2795 -0.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6812 1.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6676 2.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4101 -0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7264 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1689 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6338 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8882 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1432 -0.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9129 -0.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1984 -1.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0996 -0.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5250 -2.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2513 -2.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6686 -1.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6477 -0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 -1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 -1.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2344 -1.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0874 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9348 -1.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6465 -1.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5284 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6812 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9693 -0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4778 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1328 -0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2669 0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0398 -2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2297 -2.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6544 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 1.2363 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
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
22 21 1 0 0 0 0
25 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
34 30 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
38 44 1 0 0 0 0
43 45 1 0 0 0 0
42 46 1 0 0 0 0
39 37 1 0 0 0 0
47 48 1 0 0 0 0
31 47 1 0 0 0 0
49 50 1 0 0 0 0
26 49 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 47 48
M SBL 1 1 53
M SMT 1 CH2OH
M SBV 1 53 -0.5148 0.2972
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 49 50
M SBL 2 1 55
M SMT 2 CH2OH
M SBV 2 55 -0.7662 -0.0049
S SKP 5
ID FL5FAAGL0020
FORMULA C31H36O19
EXACTMASS 712.18507897
AVERAGEMASS 712.6061400000001
SMILES O(C(=C5c(c6)ccc(c6)O)C(c(c(O5)4)c(O)cc(c4)O)=O)C(O1)C(C(C(OC(C(OC(O3)C(C(O)C(O)C3)O)2)OC(C(O)2)CO)C1CO)O)O
M END
