Mol:FL5FACGS0085
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
61 67 0 0 0 0 0 0 0 0999 V2000
2.0956 3.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0956 2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8100 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5245 2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5245 3.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8100 3.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3811 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6667 2.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 1.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6667 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3811 1.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7623 2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4766 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4766 1.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7623 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6667 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1911 2.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0956 0.9705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7623 0.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1163 3.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1530 2.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7658 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3531 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1466 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9449 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3576 -0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5641 -0.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9816 -1.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7130 -1.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3893 -0.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1152 -0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5432 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1714 -2.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -2.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5589 -2.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8442 -1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -2.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2321 -2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -2.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9043 -3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4676 -3.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5911 -2.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6554 -3.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9407 -3.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3539 -3.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5534 -2.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2679 -2.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8549 -3.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 -3.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5277 -3.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1530 -3.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6589 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6651 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8709 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3016 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0895 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8754 -0.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3873 1.1042 0.0000 O 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
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 19 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 29 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
46 50 1 0 0 0 0
45 51 1 0 0 0 0
44 52 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
55 59 1 0 0 0 0
54 60 1 0 0 0 0
53 61 1 0 0 0 0
47 40 1 0 0 0 0
56 31 1 0 0 0 0
S SKP 5
ID FL5FACGS0085
FORMULA C37H46O24
EXACTMASS 874.2379023999999
AVERAGEMASS 874.7467399999999
SMILES Oc(c31)cc(O)cc1OC(=C(OC(C(OC(C6O)OC(COC(O7)C(O)C(O)C(C7)O)C(O)C6O)4)OC(C(OC(C5O)OCC(C(O)5)O)C(O)4)C)C(=O)3)c(c2)cc(c(c2)O)O
M END
