Mol:FL5FAAGL0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.3909 1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3909 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6764 0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0379 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0379 1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6764 1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 1.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7537 -0.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9089 1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6370 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6370 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9089 2.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1809 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1049 1.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3649 2.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2213 0.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6764 -0.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0009 -1.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5698 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3988 -1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2328 -2.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6641 -1.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8350 -1.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3060 -1.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3194 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8882 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7173 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5512 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9825 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1534 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5613 0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5992 0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7037 0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2002 -0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5504 -0.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9716 -1.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8727 -2.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2328 -2.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8272 1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3064 0.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5568 1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7754 1.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3590 1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1249 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4865 1.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0343 1.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8563 0.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5979 2.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4639 2.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7037 1.4925 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 2 0 0 0 0
52 54 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 3 52 53 54
M SBL 1 1 59
M SMT 1 ^ COOH
M SBV 1 59 0.4730 -0.5902
S SKP 5
ID FL5FAAGL0047
FORMULA C33H38O21
EXACTMASS 770.190558278
AVERAGEMASS 770.64222
SMILES O(C(COC(O6)C(C(C(O)C6C)O)O)5)C(C(O)C(C5O)O)OC(=C(c(c4)ccc(c4)O)3)C(=O)c(c1O3)c(O)cc(OC(O2)C(C(O)C(O)C(C(O)=O)2)O)c1
M END
