Mol:FL3FAKCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.3637 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9348 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9348 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2203 -1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2203 -0.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2203 -2.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0779 -0.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4844 2.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2621 2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 1.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9234 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3282 0.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7201 1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7544 2.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3055 2.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3551 0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 -2.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8308 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3541 -2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6678 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0053 -1.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4867 -1.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0872 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8317 -0.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0973 -2.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0668 -2.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3672 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1201 -0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8729 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8729 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1201 1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3672 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1201 2.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9851 -0.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0973 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6254 1.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5430 0.6461 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 2 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
9 32 1 0 0 0 0
36 38 1 0 0 0 0
39 40 1 0 0 0 0
34 39 1 0 0 0 0
41 42 1 0 0 0 0
35 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 OCH3
M SBV 1 44 -1.1122 0.6422
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.7525 -0.4345
S SKP 5
ID FL3FAKCS0001
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C5O)(OCC(C5O)O)c(c(O)1)c(O)c(C(=O)3)c(OC(c(c4)cc(c(c(O)4)OC)OC)=C3)c(C(O2)C(O)C(O)C(O)C2)1
M END
