Mol:FL3FAAGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.8518 1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8518 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4497 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4497 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 0.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9524 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9524 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 1.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2514 -0.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6532 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 1.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3677 3.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6532 2.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7967 3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 1.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7812 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2332 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3641 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4899 -2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0379 -1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9069 -1.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6205 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7967 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 -2.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4899 -3.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 0.1450 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
15 19 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 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 18 1 0 0 0 0
8 31 1 0 0 0 0
S SKP 5
ID FL3FAAGM0001
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES c(c4)(ccc(c4)C(=C(C)1)Oc(c3)c(c(cc3O)OC(O2)C(C(C(O)C2C)O)O)C1=O)O
M END
