Mol:FL5FAAGL0109
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
61 66 0 0 0 0 0 0 0 0999 V2000
0.9261 2.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6434 2.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6434 3.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9261 4.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2086 3.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2086 2.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 3.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4913 2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 2.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8700 2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8700 1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4913 1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5592 2.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2485 2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2485 1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5592 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8579 2.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2874 1.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5592 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1806 0.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5626 -1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2331 -1.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1383 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4904 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3054 0.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2107 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4093 -2.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0829 -1.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 0.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6482 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3379 -0.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8898 -1.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3179 -2.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 -1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6664 -2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2382 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 -1.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5695 -1.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7926 -1.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9997 -2.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6312 -2.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6706 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5118 -0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2109 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0643 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2232 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5240 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 -0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3168 -0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 1.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8579 1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7620 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8943 -1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6004 -1.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2962 -2.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8118 -2.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5956 -2.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2962 -3.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5743 -3.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8883 -4.0753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 8 2 0 0 0 0
10 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 11 1 0 0 0 0
15 18 1 0 0 0 0
13 19 1 0 0 0 0
17 20 1 0 0 0 0
12 21 2 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
19 25 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
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
32 37 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 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
30 43 1 0 0 0 0
45 49 1 0 0 0 0
49 50 1 0 0 0 0
48 51 1 0 0 0 0
47 52 1 0 0 0 0
46 53 1 0 0 0 0
50 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
59 60 2 0 0 0 0
59 61 1 0 0 0 0
S SKP 5
ID FL5FAAGL0109
FORMULA C37H44O24
EXACTMASS 872.222252336
AVERAGEMASS 872.7308599999999
SMILES C(C(O)6)(COC(CC(O)C(O)=O)=O)OC(C(O)C6O)OC(C2O)C(OC(=C(c(c5)ccc(c5)O)4)C(=O)c(c3O4)c(O)cc(c3)O)OC(C2O)COC(C1O)OC(C(C1O)O)C
M END
