Mol:FL3FAACS0078
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
1.6181 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9036 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1892 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1892 0.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9036 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6181 0.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2397 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2397 0.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8854 1.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -1.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9036 -0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3998 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1143 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8288 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8288 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1143 2.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3998 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4439 2.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8816 0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3137 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 -0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7617 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3295 0.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0571 0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6340 0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3750 -0.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0631 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0040 -0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5144 -1.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9271 -2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1336 -1.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3352 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9225 -1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7161 -1.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2784 -2.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6084 -2.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4439 -1.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1457 -1.4297 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
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 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
21 28 1 0 0 0 0
22 29 2 0 0 0 0
23 30 1 0 0 0 0
24 9 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
31 40 1 0 0 0 0
35 30 1 0 0 0 0
S SKP 5
ID FL3FAACS0078
FORMULA C27H28O13
EXACTMASS 560.152990982
AVERAGEMASS 560.50342
SMILES c(c5)(ccc(c5)C(=C4)Oc(c(C4=O)3)cc(O)c(c3O)C(C(OC(C(O)2)OC(C)C(C2O)O)1)OC(C)C(O)C1=O)O
M END
