Mol:FL3FACDS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.9219 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9219 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2075 -2.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4930 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4930 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2075 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 -2.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0641 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0641 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 -0.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 -2.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6361 -0.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2075 -2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1910 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5619 -0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3148 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3148 0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5619 0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1910 0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0672 0.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0672 -0.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9042 2.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3521 0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3432 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7482 0.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1399 1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2771 2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7047 2.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8368 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2424 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5679 -0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7819 0.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5679 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2424 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0285 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0788 2.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5679 1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6132 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7903 0.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0458 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6595 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4023 1.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1498 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5362 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7933 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3915 1.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3274 1.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1364 1.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4914 2.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5737 1.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8726 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7903 0.3756 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
1 12 1 0 0 0 0
3 13 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
9 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
6 25 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 30 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
42 20 1 0 0 0 0
50 51 1 0 0 0 0
27 50 1 0 0 0 0
52 53 1 0 0 0 0
44 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 CH2OH
M SBV 1 56 -0.6485 -0.7412
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 52 53
M SBL 2 1 58
M SMT 2 CH2OH
M SBV 2 58 -0.7229 -0.0742
S SKP 5
ID FL3FACDS0010
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(=C(c(c5)cc(c(OC(O6)C(O)C(C(C6CO)O)O)c5)O)4)C(c(c1O4)c(O)cc(c(C(C2OC(C3O)OC(C(C(O)3)O)C)OC(CO)C(C2O)O)1)O)=O
M END
