Mol:FL5FAGGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.8252 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8252 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1107 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6038 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6038 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1107 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0328 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0328 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9326 1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6608 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3890 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6608 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9326 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1107 -1.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1683 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6787 1.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8726 -0.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6608 3.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1170 0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6375 -2.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 -2.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1070 -1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 -1.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6375 -0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8556 -1.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8318 -1.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6228 -2.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0667 -3.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1277 1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6511 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9645 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7834 1.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3840 0.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7304 0.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3884 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3223 0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9399 1.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1683 1.8064 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
16 22 1 0 0 0 0
14 23 1 0 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 28 1 0 0 0 0
28 29 1 1 0 0 0
29 24 1 1 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 33 1 0 0 0 0
28 21 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 20 1 0 0 0 0
43 44 1 0 0 0 0
39 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^ CH2OH
M SBV 1 48 0.5559 -0.5758
S SKP 5
ID FL5FAGGS0010
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES C(C(O)5)(OC(CO)C(O)C5O)Oc(c1)cc(O3)c(C(=O)C(=C3c(c4)cc(c(c(O)4)O)O)OC(C(O)2)OC(C)C(C(O)2)O)c1O
M END
