Mol:FL5FAAGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-4.3195 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3195 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6185 -0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9175 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9175 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6185 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2165 -0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5155 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2165 1.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2165 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8148 1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1003 1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6141 1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6141 2.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1003 2.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8148 2.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6185 -0.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0203 1.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 2.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 -1.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 -2.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4957 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 -0.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2064 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1785 -0.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0774 -2.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5985 -2.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 -1.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0047 -0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6544 -1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5901 -0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4930 -0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8368 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0184 -0.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 -1.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0203 -0.6107 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 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 31 1 0 0 0 0
21 26 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
28 32 1 0 0 0 0
35 40 1 0 0 0 0
S SKP 5
ID FL5FAAGS0020
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(O2)(C)C(C(O)C(C2OC(=C4c(c5)ccc(c5)O)C(c(c(O)3)c(O4)cc(O)c3)=O)OC(O1)C(C(C(C1)O)O)O)O
M END
