Mol:FL7AAGGL0051
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
71 77 0 0 0 0 0 0 0 0999 V2000
-0.2475 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4670 0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4670 2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6104 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6104 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 2.6417 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.3870 2.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1014 2.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8159 2.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8159 3.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1014 3.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3870 3.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4561 3.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4689 0.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8274 2.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4670 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1014 4.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4809 2.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5742 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3425 -1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2550 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5979 0.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8295 -0.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9169 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3774 -1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6050 -2.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1032 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0285 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0737 -2.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2078 -1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2082 -0.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4938 -2.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2199 -3.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9342 -2.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6489 -3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6492 -4.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -4.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2203 -4.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3629 -4.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3420 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9294 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1310 0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3376 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7501 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5485 0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8073 1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 1.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 0.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4386 0.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6205 -0.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4809 1.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7674 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7674 2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0539 1.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3404 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3404 2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4720 -0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8846 -1.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0911 -0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2928 -1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8800 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6736 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 -1.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5659 -1.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2984 -1.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2065 -0.6067 0.0000 C 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
33 34 1 0 0 0 0
45 46 1 1 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
47 55 1 0 0 0 0
48 20 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
52 60 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 1 0 0 0
65 64 1 1 0 0 0
66 65 1 1 0 0 0
66 67 1 0 0 0 0
67 62 1 0 0 0 0
65 68 1 0 0 0 0
64 69 1 0 0 0 0
63 70 1 0 0 0 0
62 71 1 0 0 0 0
66 53 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0051
FORMULA C45H49O26
EXACTMASS 1005.25120674
AVERAGEMASS 1005.8549599999999
SMILES Oc(c(O)7)c(O)cc(c7)c([o+1]6)c(cc(c65)c(cc(O)c5)OC(C(O)4)OC(COC(CC(O)=O)=O)C(C4O)OC(C(O)3)OC(C(O)C(O)3)C)OC(C(O)1)OC(COC(C=Cc(c2)ccc(c2)O)=O)C(O)C1O
M END
