Mol:FL5FCBGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
1.1286 2.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0917 0.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 3.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8086 1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 2.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0855 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1406 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8722 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0808 -0.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3541 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9938 -0.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5119 -1.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4715 -1.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8171 -2.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 -1.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1623 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 -3.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7300 -2.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5525 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9636 -2.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 -2.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6345 -3.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4817 -3.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3165 -2.6952 0.0000 C 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
18 22 1 0 0 0 0
20 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
38 41 1 0 0 0 0
37 42 1 0 0 0 0
36 43 1 0 0 0 0
35 44 1 0 0 0 0
39 34 1 0 0 0 0
27 19 1 0 0 0 0
S SKP 5
ID FL5FCBGS0001
FORMULA C29H34O15
EXACTMASS 622.189770418
AVERAGEMASS 622.5712599999999
SMILES O(c(c5)cc(c(c(O)5)4)OC(=C(C4=O)OC(O3)C(C(O)C(O)C(CO)3)OC(C(O)2)OC(C)C(C2O)O)c(c1)ccc(OC)c1)C
M END
