Mol:FL5FAAGS0082
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
1.1285 4.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1285 3.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 3.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 4.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8430 4.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3003 3.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3003 1.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 3.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3003 1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 3.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 1.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2296 -0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6422 -1.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4229 -0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0103 0.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8099 -0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9764 -0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1347 -1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1680 -2.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9638 -1.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5556 -0.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2671 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4228 0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9697 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1469 0.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0088 0.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5625 0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9369 -0.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6361 -1.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 -1.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3002 0.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6365 -3.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 -3.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4068 -3.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9999 -2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1747 -2.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0434 -3.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6209 -3.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9633 -4.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7264 -4.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2173 -4.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2891 -3.0423 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 19 1 0 0 0 0
26 42 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 30 1 0 0 0 0
S SKP 5
ID FL5FAAGS0082
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES c(c(O)1)c(cc(O5)c(C(=O)C(=C5c(c6)ccc(O)c6)OC(O2)C(OC(O3)C(C(C(OC(C4O)OC(C(C4O)O)CO)C3C)O)O)C(C(O)C(CO)2)O)1)O
M END
