Mol:FL3FACGS0032
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.6177 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6177 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 -2.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6230 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6230 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 -1.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2435 -2.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8637 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8637 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2435 -1.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2435 -3.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4839 -1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1161 -1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7485 -1.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7485 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1161 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4839 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3321 -1.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 -3.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5659 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0109 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5145 -1.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7996 -1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1098 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6110 -1.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5659 -1.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2883 -1.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1205 -2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1161 0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2690 2.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 1.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 1.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3517 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3517 1.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6500 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6499 2.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5828 2.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0554 0.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6409 2.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 3.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8989 3.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6943 -0.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4885 -0.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2957 -0.2415 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
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 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
16 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
40 41 2 0 0 0 0
40 42 1 0 0 0 0
36 40 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
26 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 40 41 42
M SBL 1 1 46
M SMT 1 COOH
M SBV 1 46 0.0091 -0.8773
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 43 44 45
M SBL 2 1 49
M SMT 2 ^ COOH
M SBV 2 49 0.3530 -0.4305
S SKP 5
ID FL3FACGS0032
FORMULA C27H26O18
EXACTMASS 638.111914028
AVERAGEMASS 638.4845399999999
SMILES O(C(c(c4)cc(OC(C5O)OC(C(O)C5O)C(O)=O)c(c4)O)=1)c(c2)c(c(cc2OC(O3)C(C(C(O)C3C(O)=O)O)O)O)C(=O)C1
M END
