Mol:FL3FACGS0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
0.3432 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3432 -1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0158 -1.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6886 -1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6886 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0158 -0.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3612 -1.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0339 -1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0339 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3612 -0.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3612 -2.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7064 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3920 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0777 -0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0777 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3920 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7064 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2405 -0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0158 -2.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9640 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 1.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8073 1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7300 1.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6204 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9734 2.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0308 1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5359 1.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8922 1.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4045 0.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3871 1.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4646 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8238 -0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9010 -0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0107 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6577 0.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4650 -0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9825 0.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1028 -0.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5326 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2060 -1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2434 0.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4625 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7103 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4625 1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2434 2.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9957 1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6714 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8676 2.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4611 2.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6760 1.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9640 0.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 2.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2702 2.6140 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
21 27 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
30 16 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 41 1 1 0 0 0
42 47 1 0 0 0 0
47 37 1 0 0 0 0
45 48 1 0 0 0 0
44 49 1 0 0 0 0
46 50 1 0 0 0 0
41 51 1 0 0 0 0
34 18 1 0 0 0 0
52 53 1 0 0 0 0
26 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 0.7704 -0.6264
S SKP 5
ID FL3FACGS0043
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C1O)C(C(C)OC1OCC(O2)C(O)C(O)C(O)C2Oc(c3)cc(O)c(C(=O)4)c(OC(c(c5)ccc(O)c(OC(O6)C(C(O)C(O)C(CO)6)O)5)=C4)3)O
M END
