Mol:FL5FACGS0075
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
3.3316 3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3316 2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0461 2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7605 2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7605 3.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0461 3.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6171 2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 2.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1882 2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1882 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6171 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2406 2.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2406 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 0.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9551 2.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3316 0.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 0.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3523 3.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3890 2.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0994 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8671 -1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3620 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1244 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3567 0.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8617 -0.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1611 -0.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4444 -0.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7182 -1.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -1.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2408 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0461 -1.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3314 -2.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7447 -1.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0559 -1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6588 -1.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2457 -1.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 -1.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7593 -1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3853 -2.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7849 -2.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -2.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3572 -2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9408 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1156 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3987 -3.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8150 -2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6402 -2.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5417 -3.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7871 -3.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3890 -2.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9690 -2.0978 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
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 19 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 30 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
47 52 1 0 0 0 0
46 53 1 0 0 0 0
45 54 1 0 0 0 0
49 41 1 0 0 0 0
S SKP 5
ID FL5FACGS0075
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES c(c21)(OC(c(c6)ccc(O)c6O)=C(OC(C3O)OC(COC(C(O)5)OC(C(O)C5O)COC(O4)C(O)C(C(O)C(C)4)O)C(C3O)O)C2=O)cc(cc1O)O
M END
