Mol:FL3FADCS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.7739 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7739 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 -2.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4881 -0.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8777 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6305 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3834 -0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3834 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6305 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8777 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6677 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5485 1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2185 1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2097 0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 0.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0064 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1593 3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5485 2.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5472 0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -3.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1283 0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6517 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 -0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3027 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 0.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3846 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6677 0.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2507 -0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4649 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0067 1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5843 2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5291 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3886 1.5206 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 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 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
13 9 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
3 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 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 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 28 1 0 0 0 0
39 40 1 0 0 0 0
17 39 1 0 0 0 0
41 42 1 0 0 0 0
25 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 -0.3762 -0.7471
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 CH2OH
M SBV 2 46 -0.4773 -0.4773
S SKP 5
ID FL3FADCS0005
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c24)c(cc(c(C(=O)C=C(O4)c(c3)ccc(c3OC)O)2)O)O)1
M END
