Mol:FL3F1AGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
0.1841 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1841 -1.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8852 -2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5863 -1.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5863 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8852 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 -2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9885 -1.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9885 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 -0.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 -2.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6894 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4038 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1184 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1184 0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4038 0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6894 0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5168 -0.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6317 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9819 -1.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0461 -0.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1431 -0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7993 -0.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6179 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9751 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3650 -0.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8080 -1.0573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2198 -1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1859 0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3942 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6454 0.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3942 1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1859 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9347 1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6309 0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8033 2.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3942 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5012 1.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8328 0.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8328 0.8308 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
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
24 25 1 0 0 0 0
19 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 18 1 0 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 29 1 1 0 0 0
30 35 1 0 0 0 0
35 25 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
34 38 1 0 0 0 0
29 39 1 0 0 0 0
15 40 1 0 0 0 0
S SKP 5
ID FL3F1AGS0003
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES O(C1C)C(OCC(O2)C(O)C(O)C(O)C2Oc(c5)ccc(c54)C(C=C(O4)c(c3)ccc(O)c3)=O)C(C(O)C(O)1)O
M END
