Mol:FL5FAAGS0038
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-2.2874 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2874 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5705 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5705 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 0.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 -1.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 -1.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0016 0.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4690 1.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 -1.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3976 1.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1805 1.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6177 0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4254 0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6424 0.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2052 0.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7552 1.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2184 1.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4802 1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9975 -0.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2349 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0417 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7857 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0417 1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2349 1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4909 1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4802 1.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3816 -0.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8690 -0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3980 0.1361 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
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 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 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 19 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 20 1 0 0 0 0
S SKP 5
ID FL5FAAGS0038
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c5)(ccc(c5)OC(O4)C(O)C(C(C(C)4)O)O)C(=C(O)3)Oc(c2C3=O)cc(cc2O)OC(C(O)1)OC(C)C(O)C1O
M END
