Mol:FL5FACGS0090
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
1.5998 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5998 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3143 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0288 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0288 2.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3143 2.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8854 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8854 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2580 1.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2580 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1709 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6870 1.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 -0.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2580 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6207 2.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6574 1.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3113 -1.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6922 -1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4905 -1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9032 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1096 -1.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 -2.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2380 -2.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7654 -1.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3008 -1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5131 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2304 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 -2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6574 -1.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5054 -2.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9323 -2.9244 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
24 31 1 0 0 0 0
23 32 1 0 0 0 0
27 19 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
33 37 2 0 0 0 0
35 38 2 0 0 0 0
31 33 1 0 0 0 0
S SKP 5
ID FL5FACGS0090
FORMULA C24H22O14
EXACTMASS 534.100955412
AVERAGEMASS 534.42308
SMILES c(c12)c(cc(O)c(C(=O)C(OC(C4O)OC(C)C(C4O)OC(=O)CC(O)=O)=C(c(c3)cc(c(c3)O)O)O2)1)O
M END
