Mol:FL63ECGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.8534 1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8534 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1389 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4246 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4246 1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1389 1.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2898 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0043 1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2898 1.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 1.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4391 1.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1595 1.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1595 2.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4391 2.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 2.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8490 2.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5678 1.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 -0.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1389 -0.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4391 3.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2173 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4543 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6964 -0.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4543 -1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2173 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9753 -1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9981 0.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5891 -1.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0096 -2.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 -2.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8917 -3.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5794 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2961 -3.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 -2.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0583 -2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1366 -3.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 -3.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1192 -3.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4868 0.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8490 0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6273 -2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7323 -2.2596 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 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
17 14 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 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
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 30 1 0 0 0 0
19 23 1 0 0 0 0
40 41 1 0 0 0 0
2 40 1 0 0 0 0
42 43 1 0 0 0 0
36 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ OCH3
M SBV 1 45 0.6335 0.2987
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^ CH2OH
M SBV 2 47 0.4310 -0.5051
S SKP 5
ID FL63ECGS0001
FORMULA C27H34O16
EXACTMASS 614.18468504
AVERAGEMASS 614.54926
SMILES O(C)c(c(O)1)c(O)cc(O4)c1CC(C(c(c5)ccc(c(O)5)O)4)OC(O2)C(C(O)C(OC(O3)C(C(C(C3CO)O)O)O)C2)O
M END
