Mol:FL63ACGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-4.0353 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0353 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6064 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6064 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -0.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9777 0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9777 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6671 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7498 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4630 -1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7025 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0440 1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7597 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1298 1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4182 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2147 1.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9245 2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7498 1.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5694 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5400 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 6 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 1 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 17 1 0 0 0 0
15 30 1 0 0 0 0
31 32 1 0 0 0 0
24 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -0.8097 -0.0881
S SKP 5
ID FL63ACGS0020
FORMULA C21H24O11
EXACTMASS 452.13186161
AVERAGEMASS 452.40866
SMILES c(c(O)4)c(c(c(c4)1)CC(C(c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)O1)O)O
M END
