Mol:FL3FACDS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
1.7088 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9944 -0.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2799 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2799 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9944 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7088 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4346 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1491 -0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1491 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4346 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8504 -0.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4346 -2.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9944 -2.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4906 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2050 -0.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9195 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9195 0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2050 1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4906 0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5347 1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7509 -1.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7524 -1.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3398 -1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 -1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1605 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9589 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4024 -1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0848 -1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8972 -2.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5737 -0.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4770 1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1531 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9963 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2744 0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7550 0.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9673 0.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6650 1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9789 2.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6781 2.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5889 -0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5737 -0.7777 0.0000 O 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 9 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 26 1 0 0 0 0
26 22 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
16 30 1 0 0 0 0
21 24 1 1 0 0 0
21 25 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 11 1 0 0 0 0
41 42 1 0 0 0 0
26 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ CH2OH
M SBV 1 46 0.6300 -0.6300
S SKP 5
ID FL3FACDS0025
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C5C)(O)C(O)C(O)C(O5)Oc(c2)c(c(c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3O)O)C(C(O)1)OC(C(O)C(O)1)CO
M END
