Mol:FL5FADGS0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
2.1996 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9141 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9141 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7708 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0563 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6582 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6582 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0563 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7708 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3726 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0870 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0870 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3726 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0563 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8015 1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3726 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6286 2.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 3.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9313 4.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5641 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2551 -2.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5671 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2249 -0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4055 -0.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0935 -1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5091 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2634 -2.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6713 -2.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1362 -2.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5328 -1.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7403 -2.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1529 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 -3.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5611 -3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1484 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9420 -3.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5245 -4.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8548 -3.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6286 -3.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3097 -2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5534 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9119 -2.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 -2.5866 0.0000 C 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 19 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
38 41 1 0 0 0 0
37 42 1 0 0 0 0
36 43 1 0 0 0 0
35 44 1 0 0 0 0
39 31 1 0 0 0 0
34 45 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
S SKP 5
ID FL5FADGS0031
FORMULA C30H34O17
EXACTMASS 666.179599662
AVERAGEMASS 666.58076
SMILES C(C(OC(C(=O)4)=C(Oc(c5)c(c(cc(O)5)O)4)c(c3)cc(OC)c(O)c3)2)(C(O)C(C(O2)COC(O1)C(O)C(O)C(C1C)O)O)OC(C)=O
M END
