Mol:FL5FAAGA0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
62 68 0 0 0 0 0 0 0 0999 V2000
3.4021 -1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -2.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7927 -1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6110 -2.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0341 -1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2206 -1.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7003 -1.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 0.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4061 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2196 -0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0380 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4611 0.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6476 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1058 0.4403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0045 0.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4006 1.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6514 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8807 -0.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4529 -2.0405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4671 -2.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6110 -2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9893 1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9893 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2882 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5872 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5872 1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2882 1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1138 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8148 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8148 1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1138 1.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1138 -0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5156 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2301 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9446 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9446 2.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2301 2.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5156 2.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6900 1.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5893 0.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2882 -0.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3461 1.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5544 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8057 2.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5544 3.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3461 3.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0950 2.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8411 4.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5544 3.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8071 3.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0341 1.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6588 2.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9187 -2.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4956 -3.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3091 -3.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1275 -3.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 -2.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7371 -3.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1962 -2.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0320 -3.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9203 -3.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1275 -4.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 1 0 0 0
3 4 1 1 0 0 0
5 4 1 1 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 1 0 0 0
10 11 1 1 0 0 0
12 11 1 1 0 0 0
12 13 1 0 0 0 0
13 8 1 0 0 0 0
8 14 1 0 0 0 0
13 15 1 0 0 0 0
12 16 1 0 0 0 0
11 17 1 0 0 0 0
5 18 1 0 0 0 0
17 18 1 0 0 0 0
2 19 1 0 0 0 0
3 20 1 0 0 0 0
4 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 22 2 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
28 32 2 0 0 0 0
30 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 33 1 0 0 0 0
22 39 1 0 0 0 0
29 40 1 0 0 0 0
24 41 1 0 0 0 0
9 40 1 0 0 0 0
43 42 1 1 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 1 1 0 0 0
47 42 1 1 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
47 50 1 0 0 0 0
42 51 1 0 0 0 0
43 39 1 0 0 0 0
36 52 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 1 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
53 59 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 62 1 0 0 0 0
57 19 1 0 0 0 0
S SKP 5
ID FL5FAAGA0025
FORMULA C39H50O23
EXACTMASS 886.274287906
AVERAGEMASS 886.8005
SMILES OC(C(O)3)C(OC(C6=O)=C(c(c7)ccc(c7)O)Oc(c64)cc(OC(C(O)5)OC(C(O)C5O)C)cc4O)OC(C3O)COC(C(O)1)OC(C(OC(O2)C(O)C(C(C2C)O)O)C1O)C
M END
