Mol:FL5FDAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
2.1945 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4801 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4801 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1945 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9090 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9090 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0512 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6633 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6633 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0512 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0921 -1.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0921 -2.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0512 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8066 -1.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4801 -2.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 -3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1905 0.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6542 3.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4358 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 1.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5419 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7605 2.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0506 2.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1315 3.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 3.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1373 3.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 2.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9838 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5931 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3914 1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2603 0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1808 0.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8168 -0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6024 0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5747 1.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1549 2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5199 -1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 33 1 0 0 0 0
26 22 1 0 0 0 0
19 44 1 0 0 0 0
18 45 1 0 0 0 0
S SKP 5
ID FL5FDAGS0007
FORMULA C29H34O16
EXACTMASS 638.18468504
AVERAGEMASS 638.57066
SMILES OC(C(O)4)C(OC(C5O)OC(C)C(C5O)O)C(OC4CO)Oc(c3O)cc(cc3)C(O1)=C(OC)C(=O)c(c(O)2)c1cc(c2)OC
M END
