Mol:FL5FAAGL0088
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.3765 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 -0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6619 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9474 -0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9474 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6619 0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4816 -0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4816 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 0.4161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8377 0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8377 1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6619 -2.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6172 1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0387 0.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2900 -1.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5480 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8734 0.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0874 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8734 1.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5480 2.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3340 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3018 2.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9125 2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9394 2.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1577 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2753 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6318 -1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 -1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7658 -0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0228 -0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6209 -0.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5157 -0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3994 -0.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9462 -1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4454 -1.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4660 -2.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8472 -2.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1577 -2.9614 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 FL5FAAGL0088
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
