Mol:FL7AADGL0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-2.2691 1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2691 1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8402 1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8402 1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 2.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1258 0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5887 1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5887 1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1258 2.3496 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3652 2.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0797 1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7942 2.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7942 3.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0797 3.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3652 3.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4343 3.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8491 2.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 -0.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2389 0.7368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4859 1.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2179 2.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9128 -1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 -0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8758 -0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0565 -0.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2553 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1144 -0.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7319 -1.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1822 -1.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6290 -1.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9795 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3684 -2.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4485 -2.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5518 -1.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2410 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1376 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 -3.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -3.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 -1.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2678 -2.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6804 -3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8869 -2.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0887 -3.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6760 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4696 -2.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0919 -3.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3824 -3.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2179 -2.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0229 -2.4538 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
13 21 1 0 0 0 0
21 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
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 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
37 33 1 0 0 0 0
26 20 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
46 49 1 0 0 0 0
45 50 1 0 0 0 0
44 51 1 0 0 0 0
43 52 1 0 0 0 0
47 30 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AADGL0028
FORMULA C33H41O19
EXACTMASS 741.22420413
AVERAGEMASS 741.66724
SMILES O(C(C6O)OCC(C6O)O)C(C(Oc(c4c(c5)ccc(O)c(OC)5)cc(c(O)3)c([o+1]4)cc(O)c3)2)C(O)C(C(O2)COC(O1)C(O)C(O)C(C1C)O)O
M END
