Mol:FL3FACGS0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-4.0887 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0887 -2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4321 -2.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7756 -2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7756 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4321 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1190 -2.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4624 -2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4624 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1190 -0.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1190 -3.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8061 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1370 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5322 -0.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5322 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1370 0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8061 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8449 -0.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4321 -3.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2633 0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0755 0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7988 0.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9028 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1794 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5893 0.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4922 1.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9343 1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9426 2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0558 1.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 1.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8513 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8512 1.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5585 2.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6372 3.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5297 2.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2149 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1392 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4446 0.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8449 1.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8449 -0.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5383 2.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3311 1.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3116 2.9147 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 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 20 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 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
39 16 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
24 40 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
35 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 -0.9180 -0.2255
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 -0.0202 -0.6509
S SKP 5
ID FL3FACGS0042
FORMULA C27H26O18
EXACTMASS 638.111914028
AVERAGEMASS 638.4845399999999
SMILES Oc(c1)cc(c(C(=O)5)c1OC(=C5)c(c2)ccc(OC(C4O)OC(C(O)=O)C(O)C(O)4)c2OC(C3O)OC(C(O)=O)C(C3O)O)O
M END
