Mol:FL7AAGGL0064
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
76 83 0 0 0 0 0 0 0 0999 V2000
-1.3217 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1072 1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1072 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 3.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 3.0596 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.3127 3.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0271 2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7416 3.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7416 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0271 4.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3127 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3818 4.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3946 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9017 2.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 0.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0271 5.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4066 2.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7527 -0.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5744 -0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8645 -0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5078 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6860 0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -0.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6460 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7334 -1.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3452 -1.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6047 0.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0909 -1.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0931 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2959 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6639 1.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6686 1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3929 0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1213 -0.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5783 -0.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6955 1.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7926 -2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9991 -2.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2008 -2.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2120 -1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5816 -2.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1642 -3.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4945 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3095 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1145 -1.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6989 -0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4124 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1259 -0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4124 -1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 -1.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7057 -2.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4225 -2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4271 -3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7149 -4.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9981 -3.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9936 -3.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7194 -5.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3605 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3315 1.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7269 1.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9391 1.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9679 0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4870 0.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6507 -0.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1138 -0.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1259 1.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2484 -0.2321 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 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 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
39 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 33 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
54 40 1 0 0 0 0
19 37 1 0 0 0 0
66 67 1 1 0 0 0
67 68 1 1 0 0 0
69 68 1 1 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 66 1 0 0 0 0
71 72 1 0 0 0 0
66 73 1 0 0 0 0
67 74 1 0 0 0 0
68 75 1 0 0 0 0
76 72 1 0 0 0 0
69 22 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0064
FORMULA C48H57O28
EXACTMASS 1081.30363624
AVERAGEMASS 1081.94938
SMILES C(O)(C8O)C(OC(C(O)8)C)OCC(C(O)7)OC(C(C7O)O)Oc(c(c(c5)cc(O)c(c5OC(O6)C(O)C(O)C(C6CO)O)O)4)cc(c([o+1]4)1)c(cc(OC(C(O)2)OC(COC(=O)C=Cc(c3)ccc(O)c3)C(O)C2O)c1)O
M END
