Mol:FL5FACGS0115
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
3.8943 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1799 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1799 3.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8943 3.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6088 3.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6088 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4654 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0365 0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4654 0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3221 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3221 0.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 -0.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1069 2.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0644 0.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3221 -0.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2007 3.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8943 4.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8015 2.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3889 2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5906 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 1.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 2.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 2.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2873 2.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9529 3.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4689 2.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1043 2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1006 1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4594 -1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8319 -2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0761 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6881 -0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3156 0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0712 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9380 -0.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3023 -2.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3099 -2.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8418 -2.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 -3.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2226 -3.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0208 -3.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4336 -2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6400 -3.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0369 -4.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7890 -3.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1692 -2.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2552 -3.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6672 -2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2552 -1.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4911 -2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9030 -3.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7268 -3.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1393 -2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9643 -2.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3768 -3.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9643 -4.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1393 -4.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2007 -3.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3762 -1.9496 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 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 19 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
46 49 1 0 0 0 0
45 50 1 0 0 0 0
43 51 1 0 0 0 0
47 42 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
59 64 1 0 0 0 0
52 44 1 0 0 0 0
S SKP 5
ID FL5FACGS0115
FORMULA C41H44O23
EXACTMASS 904.227337714
AVERAGEMASS 904.7742599999999
SMILES C(C1OC(C7O)C(OCC7O)OC(C3=O)=C(c(c6)cc(O)c(O)c6)Oc(c4)c(c(O)cc4OC(C(O)5)OC(CO)C(O)C5O)3)(C(C(OC(C=Cc(c2)ccc(O)c(O)2)=O)C(O1)C)O)O
M END
