Mol:FL3FAACS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.9833 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9833 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2688 -0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4456 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4456 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2688 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1600 -0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1600 1.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1614 -1.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2688 -1.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2532 1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2532 2.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 2.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0056 2.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8912 0.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2291 -0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5669 -0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6663 -0.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3020 0.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0172 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4456 -0.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9700 -0.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6974 1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8382 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5759 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7000 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2136 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3311 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1277 -1.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6821 -1.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0056 -2.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3137 -2.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2323 -1.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6931 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9188 0.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5089 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1465 -2.2825 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 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
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 29 1 0 0 0 0
39 40 1 0 0 0 0
25 39 1 0 0 0 0
41 42 1 0 0 0 0
35 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 0.6759 -0.6448
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 ^ CH2OH
M SBV 2 46 0.8268 -0.3737
S SKP 5
ID FL3FAACS0024
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(c5)(ccc(c5)C(=C4)Oc(c(C4=O)1)cc(O)c(C(C2OC(C(O)3)OC(CO)C(C(O)3)O)OC(C(C2O)O)CO)c1O)O
M END
