Mol:FL5FACGL0042
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.9208 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9208 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5184 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5184 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 0.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1828 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1828 0.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1828 -1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5850 0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0144 0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0144 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5850 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6218 0.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5679 -0.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2095 -2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7864 -2.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6002 -2.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4189 -2.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8421 -2.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0284 -2.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4237 -2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5953 -0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1721 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9858 -0.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8045 -0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2278 -0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4140 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8932 -0.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0185 0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8995 -0.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4992 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7298 -1.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2587 -2.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0271 -3.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4189 -3.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8134 2.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2319 1.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4399 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6913 1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4399 2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2319 3.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9807 2.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8903 3.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4399 3.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6504 2.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8995 1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
49 44 1 1 0 0 0
48 50 1 0 0 0 0
47 51 1 0 0 0 0
49 52 1 0 0 0 0
44 53 1 0 0 0 0
45 18 1 0 0 0 0
S SKP 5
ID FL5FACGL0042
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(C1O)(O)C(OCC(O2)C(O)C(C(O)C2OC(=C(c(c6)ccc(O)c(O)6)5)C(=O)c(c(O5)4)c(cc(c4)OC(C(O)3)OC(C)C(C3O)O)O)O)OC(C1O)C
M END
</pre>
