Mol:FL2FBEGS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.3085 -0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3085 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 -1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0939 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0939 -0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7951 -1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4963 -1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4963 -0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7951 0.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1973 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9120 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6267 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6267 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9120 1.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1973 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7951 -2.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0095 0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9120 2.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7698 0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3435 -0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5186 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6987 -0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1250 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9500 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2417 0.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0206 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2362 -0.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2578 0.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3400 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3412 1.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2417 0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1574 -1.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2569 -2.2022 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
15 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
18 23 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
29 30 1 0 0 0 0
25 29 1 0 0 0 0
31 32 1 0 0 0 0
14 31 1 0 0 0 0
33 34 1 0 0 0 0
3 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 ^ CH2OH
M SBV 1 33 0.3078 -0.5331
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 OCH3
M SBV 2 35 -0.7145 -0.4126
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 37
M SMT 3 ^ OCH3
M SBV 3 37 0.5501 0.2023
S SKP 5
ID FL2FBEGS0001
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c42)C(CC(c(c3)ccc(c3O)OC)O2)=O)OC)CO)O)O
M END
</pre>
