Mol:FL3FACGS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
0.5069 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5069 -2.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 -2.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5256 -2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1984 -2.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1984 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5256 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7818 -3.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8711 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5570 -1.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2427 -1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2427 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5570 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8711 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2680 -1.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8277 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6936 -1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0014 -1.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0046 -1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0426 -1.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 -0.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6137 -1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1626 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3175 -1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7703 -1.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3469 -2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5643 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7209 -0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9886 0.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7209 1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5643 1.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2968 0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9283 -0.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2114 2.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7209 1.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8713 1.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1887 -0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9284 -1.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1044 1.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9478 0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6802 1.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9478 2.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1044 3.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3720 2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2455 3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8420 3.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1887 1.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8469 2.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8235 1.8252 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 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
32 37 1 0 0 0 0
37 27 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
36 40 1 0 0 0 0
31 41 1 0 0 0 0
24 18 1 0 0 0 0
14 42 1 0 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 43 1 1 0 0 0
47 49 1 0 0 0 0
46 50 1 0 0 0 0
45 51 1 0 0 0 0
20 44 1 0 0 0 0
52 53 1 0 0 0 0
48 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 ^ CH2OH
M SBV 1 58 0.5251 -0.5250
S SKP 5
ID FL3FACGS0044
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C1O)C(C(C)OC1OCC(O2)C(O)C(O)C(C2Oc(c6)cc(O)c(c56)C(=O)C=C(O5)c(c3)cc(c(OC(O4)C(C(C(C4CO)O)O)O)c3)O)O)O
M END
