Mol:FL5FACGA0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.0423 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0423 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6203 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6203 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9093 0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1983 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1983 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9093 1.8324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9093 -0.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5124 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2371 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9617 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9617 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2371 3.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5124 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7530 1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4100 0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 -0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -1.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4939 -1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3239 -1.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7530 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9279 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4261 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6239 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1948 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8499 -0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2791 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4540 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9109 0.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7937 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4332 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6797 -0.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1556 -1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0391 -2.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3239 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7719 3.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2371 3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4145 -2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8435 -3.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0184 -2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8116 -3.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2408 -2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4157 -2.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 -2.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3786 -3.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5350 -3.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8116 -3.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3852 1.0758 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
31 36 1 0 0 0 0
25 37 1 0 0 0 0
36 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
29 19 1 0 0 0 0
41 15 1 0 0 0 0
16 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 46 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
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 38 1 0 0 0 0
32 53 1 0 0 0 0
S SKP 5
ID FL5FACGA0017
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(C(O)4)OC(C(O)C4O)COC(O2)C(O)C(C(OC(O3)C(C(C(C(C)3)O)O)O)C2C)O)cc(cc1O)O
M END
