Mol:FL5FEAGS0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
49 53 0 0 0 0 0 0 0 0999 V2000
-1.4054 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4054 -0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 -0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0235 -0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0235 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7380 -0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4524 -0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4524 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7380 1.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7380 -1.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3521 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8085 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8085 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3521 2.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 -1.4556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5878 2.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2588 1.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9139 2.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5857 2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7782 2.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0704 1.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4458 2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1762 2.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5878 2.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3359 2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4522 3.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3367 3.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1176 -0.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 -2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6261 -2.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4079 -1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6261 -0.9453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 -0.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1566 -1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1393 -1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9733 -3.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5045 -2.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8557 -2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3274 3.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8706 4.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7177 4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3651 -3.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7248 -3.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3651 -4.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0769 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3612 -0.7148 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 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
25 29 1 0 0 0 0
26 30 1 0 0 0 0
24 20 1 0 0 0 0
31 8 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
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 31 1 0 0 0 0
30 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
39 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
48 49 1 0 0 0 0
2 48 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 53
M SMT 1 ^ OCH3
M SBV 1 53 0.6715 0.4964
S SKP 5
ID FL5FEAGS0019
FORMULA C32H36O17
EXACTMASS 692.1952497259999
AVERAGEMASS 692.6180400000001
SMILES C(C)(O1)C(C(OC(C)=O)C(C(Oc(c2)c(c(c(C4=O)c2OC(=C(OC(O5)C(O)C(C(C5C)O)OC(C)=O)4)c(c3)ccc(O)c3)O)OC)1)O)O
M END
