Mol:FL5FAAGS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
1.4764 1.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2261 0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7971 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6221 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4522 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8814 0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0562 0.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6214 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6284 2.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1994 1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0244 1.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8545 1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2837 2.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4585 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9182 2.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7790 2.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1889 2.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4775 1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8079 1.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 -0.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1055 -0.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4522 -1.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6732 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2441 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0692 -2.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8992 -2.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3284 -1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 -1.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0220 -1.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7090 -2.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6750 -2.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9418 -2.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1708 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1708 -0.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4598 -1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7486 -0.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7486 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4598 0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0377 -1.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3267 -0.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3267 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0377 0.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0399 -2.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1086 -0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8333 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8333 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1086 1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8814 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5741 -1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4598 -2.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 1 0 0 0
4 5 1 1 0 0 0
6 5 1 1 0 0 0
6 7 1 0 0 0 0
7 2 1 0 0 0 0
2 8 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 1 0 0 0
11 12 1 1 0 0 0
13 12 1 1 0 0 0
13 14 1 0 0 0 0
14 9 1 0 0 0 0
9 15 1 0 0 0 0
14 16 1 0 0 0 0
13 17 1 0 0 0 0
12 18 1 0 0 0 0
6 19 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
4 21 1 0 0 0 0
5 22 1 0 0 0 0
10 1 1 0 0 0 0
23 24 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 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 32 1 0 0 0 0
27 21 1 0 0 0 0
33 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 33 2 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
39 43 2 0 0 0 0
41 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 44 1 0 0 0 0
33 50 1 0 0 0 0
40 51 1 0 0 0 0
35 52 1 0 0 0 0
47 1 1 0 0 0 0
S SKP 5
ID FL5FAAGS0044
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES C(O)(C2C)C(C(O)C(OCC(O3)C(O)C(C(O)C(Oc(c4)ccc(C(=C(O)5)Oc(c6)c(c(O)cc(O)6)C5=O)c4)3)O)O2)OC(C(O)1)OC(C(O)C1O)C
M END
