Mol:FL5FCAGA0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.1881 1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1881 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 2.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0848 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3837 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3837 1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0848 2.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0848 -0.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3172 2.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0317 1.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7462 2.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7462 2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0317 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3172 2.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1130 0.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4870 -0.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5452 3.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1292 -0.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1039 -1.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1292 -2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 -2.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3724 -1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3943 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 -2.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2991 -2.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4963 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0539 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8568 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6316 0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0686 0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 0.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6070 -0.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2686 0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0887 -3.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9890 -3.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2686 3.5984 0.0000 C 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 18 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
27 30 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 0 0 0 0
24 39 1 0 0 0 0
41 42 1 0 0 0 0
1 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.0405 0.8857
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 ^ OCH3
M SBV 2 46 0.4503 -0.7799
S SKP 5
ID FL5FCAGA0002
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(OC(C5O)OCC(C5O)O)(C1OC(C2=O)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc3OC)C(O)C(C(O1)CO)O
M END
