Mol:FL5FAAGS0098
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
1.3456 4.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3456 3.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0600 2.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7745 3.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7745 4.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0600 4.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6311 2.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0834 3.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 2.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0834 1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6311 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5123 3.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 2.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5123 1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0834 0.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9413 3.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4038 1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3752 4.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5123 0.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2242 -0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5994 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7703 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3286 0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5049 0.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3340 -0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5193 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0997 -0.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3551 -0.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3359 -1.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7662 0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5115 -1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9240 -1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1308 -1.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3327 -1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9201 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7134 -1.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1738 -2.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2975 -2.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3752 -1.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1234 -1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3973 -3.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 -4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1570 -3.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5863 -3.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1968 -2.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6541 -3.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2418 -3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8255 -3.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7621 -4.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2231 -4.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6367 -3.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6597 -2.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 -1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1320 -1.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2516 -0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 -1.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9782 -2.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1442 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 -1.5705 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
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
19 25 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 29 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
57 60 1 0 0 0 0
56 61 1 0 0 0 0
55 62 1 0 0 0 0
54 63 1 0 0 0 0
46 61 1 0 0 0 0
32 58 1 0 0 0 0
S SKP 5
ID FL5FAAGS0098
FORMULA C39H50O24
EXACTMASS 902.269202528
AVERAGEMASS 902.7999
SMILES c(c1O)cc(C(=C3OC(C(OC(C6O)OC(C)C(C(OC(O7)C(C(C(C(CO)7)O)O)O)6)O)4)OC(COC(C5O)OC(C)C(C5O)O)C(O)C4O)Oc(c2C(=O)3)cc(cc(O)2)O)cc1
M END
