Mol:FL5FAAGS0080
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
1.6735 3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6735 2.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 2.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1024 2.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1024 3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 3.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9590 2.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 2.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4698 2.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4698 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9590 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1843 2.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8988 2.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8988 1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1843 1.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 0.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6131 2.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5653 1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7032 3.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1843 0.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0298 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 -1.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0032 -0.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5466 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7242 0.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5730 -0.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0582 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3766 -1.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 -1.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4618 -1.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8767 -0.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0321 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6194 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8212 -1.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0277 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4403 -0.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2386 -0.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4560 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1628 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5758 -0.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2111 -1.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3313 -1.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8149 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2275 -3.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4340 -3.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6357 -3.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2230 -2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0166 -2.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6197 -3.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9088 -3.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7032 -3.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5493 -2.6834 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
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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 19 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 29 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 43 1 0 0 0 0
S SKP 5
ID FL5FAAGS0080
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C(O)3)C(OC(C5=O)=C(Oc(c6)c(c(O)cc6O)5)c(c4)ccc(O)c4)OC(C3O)COC(O1)C(OC(O2)C(C(C(C(C)2)O)O)O)C(O)C(C1CO)O
M END
