Mol:FL7AAAGA0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-2.0985 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0985 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3841 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6697 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6697 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3841 2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0448 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7593 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7593 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0448 2.3455 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.5357 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2502 1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9647 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9647 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2502 3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5357 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6049 3.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4033 0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4033 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8146 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0340 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4304 -0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1777 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6243 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4444 -0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7777 -0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6647 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7216 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1584 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3417 -3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0113 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6584 -1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1582 -1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4888 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8019 -2.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6865 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2711 -3.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1759 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8904 -0.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1759 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8904 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6049 -1.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8904 -2.6616 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
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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 18 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
34 38 1 0 0 0 0
33 39 1 0 0 0 0
32 40 1 0 0 0 0
35 31 1 0 0 0 0
28 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGA0008
FORMULA C29H31O17
EXACTMASS 651.156124566
AVERAGEMASS 651.54624
SMILES OC(C5O)C(O)C(OC5)OC(C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)ccc(O)c2)1)C(C(O)C(O1)COC(CC(O)=O)=O)O
M END
