Mol:FL5FACGS0081
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
2.8422 3.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8422 2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5566 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2711 2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2711 3.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5566 3.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1278 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 2.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6988 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6988 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1278 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 2.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7300 1.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7300 0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4445 2.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8422 0.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0157 -0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8630 3.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8996 1.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1703 2.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7577 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9594 2.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1659 2.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5784 2.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3768 2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6974 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3409 3.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8996 2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4525 2.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3663 1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6823 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3972 -1.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1406 -0.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9627 -0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2479 -0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5044 -0.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0979 -1.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7947 -1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9845 -1.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1070 -0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4165 -3.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9405 -2.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7162 -2.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9629 -1.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4388 -2.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8870 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3153 -2.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1646 -3.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 -3.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9826 -2.7635 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 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 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 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
38 19 1 0 0 0 0
47 40 1 0 0 0 0
S SKP 5
ID FL5FACGS0081
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES O(C(C)2)C(OC(=C(c(c6)ccc(O)c6O)5)C(=O)c(c4O5)c(cc(c4)OC(C(O)3)OC(CO)C(O)C3O)O)C(C(C2O)O)OC(O1)C(C(C(O)C1CO)O)O
M END
