Mol:FL3FAACS0073
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
2.8372 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1227 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1227 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8372 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6939 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0206 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0206 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6939 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6939 -1.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1227 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6444 -0.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2318 -0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4336 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6401 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0526 -0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8510 -0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1286 0.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1469 -0.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8825 -0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0027 -1.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3334 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0478 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0478 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3334 1.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6630 1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8279 0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6250 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9036 0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4871 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6899 -0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4113 0.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9166 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6459 0.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6630 1.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2722 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
21 36 1 0 0 0 0
S SKP 5
ID FL3FAACS0073
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c5)(ccc(c5)C(O1)=CC(c(c2O)c1cc(c(C(O3)C(C(O)C(O)C(COC(O4)C(C(O)C(O)C4C)O)3)O)2)O)=O)O
M END
