Mol:FL3FAAGS0070
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
3.2510 1.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 1.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0135 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2510 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6635 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0135 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2510 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6635 -0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6635 -2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2510 -3.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6635 -3.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4885 -3.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9010 -3.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4885 -2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1885 -0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1885 0.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9194 -4.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5801 1.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8225 2.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2352 1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0335 2.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8270 1.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4144 2.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6160 2.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3160 2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 2.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7053 1.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4230 1.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2095 2.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 1.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0263 1.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1162 1.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4870 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2285 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5997 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3422 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7135 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3422 0.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5997 0.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4550 1.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9194 0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9232 3.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7483 3.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 3.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9626 2.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1374 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7199 3.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4654 2.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0168 3.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7474 4.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2358 4.3498 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 20 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
31 21 1 0 0 0 0
42 43 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 28 1 0 0 0 0
S SKP 5
ID FL3FAAGS0070
FORMULA C37H38O16
EXACTMASS 738.215985168
AVERAGEMASS 738.6880199999999
SMILES C(C2O)(C(COC(C(O)6)OC(C(C(O)6)O)C)OC(Oc(c5)cc(c(c(O)5)3)OC(c(c4)ccc(O)c4)=CC(=O)3)C(O)2)OC(=O)C=Cc(c1)ccc(OC)c1
M END
