Mol:FL5FAAGL0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.6019 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6019 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 1.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2558 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 1.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5413 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9699 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6981 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4262 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4262 2.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6981 2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9699 2.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3161 1.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1542 2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0522 -0.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 -0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6251 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1940 -2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0231 -1.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8572 -2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2884 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4592 -1.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8245 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5536 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3827 0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2168 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6481 0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3093 0.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4092 0.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3693 0.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8657 -0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1348 -0.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 -1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5251 -2.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8572 -2.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1415 1.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6209 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8711 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0897 1.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6734 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4393 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0401 2.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3693 0.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3136 0.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7133 2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7958 1.9158 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
29 30 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 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
26 39 1 0 0 0 0
38 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
30 20 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 18 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 0.2740 -0.9460
S SKP 5
ID FL5FAAGL0044
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(=C(c(c6)ccc(c6)O)1)(OC(O4)C(O)C(C(C4COC(O5)C(C(C(O)C5C)O)O)O)O)C(c(c3O)c(cc(c3)OC(C(O)2)OC(CO)C(O)C2O)O1)=O
M END
