Mol:FL5FAAGA0036
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.1726 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1726 -0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4581 -0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7436 -0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7436 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4581 0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0291 -0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 -0.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0291 0.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0277 -1.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 0.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3134 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0416 0.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0416 1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3134 2.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4581 -1.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8211 2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8348 0.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4939 -0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2822 1.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6077 0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8217 1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6077 2.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2822 2.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0683 1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0155 2.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6077 2.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6118 2.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8714 0.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4379 -0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 -1.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7944 -0.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5420 -1.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9284 -0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1854 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7423 -0.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4515 -0.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 0.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1908 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1955 -1.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2175 -2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4928 -2.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8714 -2.9690 0.0000 C 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 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
33 21 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
S SKP 5
ID FL5FAAGA0036
FORMULA C29H32O16
EXACTMASS 636.1690349759999
AVERAGEMASS 636.5547799999999
SMILES OC(C1Oc(c5)cc(O)c(c54)C(C(=C(O4)c(c3)ccc(c3)O)OC(C2O)OC(C(C(O)2)O)COC(C)=O)=O)C(C(C(O1)C)O)O
M END
