Mol:FL5FADGL0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.9710 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9710 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 -0.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1129 -1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1129 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 -2.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2132 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 -0.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2132 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 -2.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8897 1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8245 -0.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3556 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7519 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3655 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1086 -1.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8560 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2424 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4994 -1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9667 -0.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9260 -1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5330 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2208 1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4504 1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8943 2.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9769 1.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1789 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8245 1.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2338 1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5298 1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0968 3.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5262 -2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5262 -3.1189 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
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
23 21 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
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 19 1 0 0 0 0
41 42 1 0 0 0 0
16 41 1 0 0 0 0
43 44 1 0 0 0 0
25 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 OCH3
M SBV 1 46 -0.0148 -0.7179
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 CH2OH
M SBV 2 48 -0.6702 -0.0149
S SKP 5
ID FL5FADGL0017
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES C(O1)(OC(C2=O)=C(c(c5)cc(c(c5)OC(C(O)4)OC(C)C(O)C(O)4)OC)Oc(c3)c2c(cc3O)O)C(C(C(O)C1CO)O)O
M END
