Mol:FL5FAAGL0085
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 57 0 0 0 0 0 0 0 0999 V2000
-1.6474 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6474 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2185 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2185 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2104 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2104 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 1.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -0.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8383 1.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5665 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5665 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8383 2.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 -1.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3458 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3096 1.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0188 -0.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2308 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8444 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5873 -0.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3348 -0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7212 0.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9782 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5558 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3900 0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3753 0.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0446 -0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5040 -1.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8441 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3674 0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6809 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0185 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4998 1.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1004 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5040 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9441 0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9561 0.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7645 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8247 -1.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9334 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9886 -1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0951 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0951 -2.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2020 -1.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9334 -2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9334 -1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7645 -2.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6314 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6079 1.6856 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 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
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
23 21 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 20 1 0 0 0 0
32 42 1 0 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 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
44 49 1 0 0 0 0
44 50 1 0 0 0 0
42 51 2 0 0 0 0
52 53 1 0 0 0 0
38 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 57
M SMT 1 ^CH2OH
M SBV 1 57 0.5310 -0.6757
S SKP 5
ID FL5FAAGL0085
FORMULA C33H38O20
EXACTMASS 754.1956436559999
AVERAGEMASS 754.64282
SMILES c(c1O)c(OC(C(O)5)OC(CO)C(O)C5O)cc(O2)c1C(C(OC(O4)C(O)C(O)C(O)C4COC(CC(C)(O)CC(O)=O)=O)=C2c(c3)ccc(c3)O)=O
M END
