Mol:FL5FADGL0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.6648 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6648 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 -1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2351 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2352 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4797 -1.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1944 -0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1944 0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4797 0.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 -1.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0946 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5515 0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5516 1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0946 1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9499 -1.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2326 2.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5186 0.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0344 -1.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1385 -1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 -1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1680 -2.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6498 -2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3380 -2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6204 -2.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5245 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4413 -1.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7584 -2.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9534 0.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1858 0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6434 0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6999 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4674 1.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0100 1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4582 2.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8603 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7584 1.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5384 0.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2403 -2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6882 -3.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 2.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3846 3.8715 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
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
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 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
27 29 1 0 0 0 0
26 30 1 0 0 0 0
21 23 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 20 1 0 0 0 0
41 42 1 0 0 0 0
25 41 1 0 0 0 0
43 44 1 0 0 0 0
16 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 CH2OH
M SBV 1 46 -0.5904 0.2905
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 OCH3
M SBV 2 48 0.0057 -0.6976
S SKP 5
ID FL5FADGL0015
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C1Oc(c5)cc(c3c5O)OC(c(c4)cc(OC)c(O)c4)=C(C3=O)OC(O2)C(C(C(O)C2CO)O)O)C(C(C(O1)C)O)O
M END
