Mol:FL5FECGS0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 57 0 0 0 0 0 0 0 0999 V2000
-1.0277 0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0277 -0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3133 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4012 -0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4012 0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3133 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1156 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8301 -0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8301 0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1156 0.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1156 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7298 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4580 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1860 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1860 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4580 2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7298 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3133 -1.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9653 2.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6896 0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6052 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3513 -2.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0389 -2.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8207 -1.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0389 -1.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3513 -0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5694 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4127 -1.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3849 -2.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8747 -3.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3549 -2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1209 0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4462 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6603 1.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4462 2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1209 2.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4462 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5535 2.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8538 0.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6891 3.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1603 3.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3156 3.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4580 2.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7104 -3.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1430 -2.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1544 -3.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6008 0.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1544 0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1312 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6043 -0.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6867 -1.4177 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
20 33 1 0 0 0 0
38 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
16 45 1 0 0 0 0
46 30 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
49 41 1 0 0 0 0
52 53 1 0 0 0 0
2 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 57
M SMT 1 ^OCH3
M SBV 1 57 0.5766 0.3329
S SKP 5
ID FL5FECGS0049
FORMULA C34H38O19
EXACTMASS 750.200729034
AVERAGEMASS 750.6541199999999
SMILES CC(=O)OC(C1O)C(OC(Oc(c5OC)cc(c3c5O)OC(c(c4)ccc(c4O)O)=C(C(=O)3)OC(O2)C(C(O)C(OC(C)=O)C(C)2)O)C1OC(C)=O)C
M END
