Mol:FL5FAAGS0096
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
1.4338 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4338 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1483 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8627 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8627 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1483 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 1.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7193 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4241 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1386 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1386 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4241 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0049 -1.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8530 1.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4508 -0.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5267 2.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4241 -1.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9632 -2.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4239 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1690 -1.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0244 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5636 -1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6755 -2.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4525 -2.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4324 -2.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3350 -2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5584 1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1459 1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3478 1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5546 1.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9670 1.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7652 1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9431 2.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6168 2.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4508 2.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8034 1.4131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8673 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4254 1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6006 1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1794 1.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3780 0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2027 0.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6239 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1951 2.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2698 0.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8034 0.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8659 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6259 -0.5694 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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
26 19 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
18 35 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
48 50 1 0 0 0 0
47 51 1 0 0 0 0
46 52 1 0 0 0 0
52 53 1 0 0 0 0
44 20 1 0 0 0 0
S SKP 5
ID FL5FAAGS0096
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(O)(C6O)C(OC(CO)C(O)6)Oc(c5)cc(c(c(O)5)1)OC(c(c4)ccc(c4)OC(O3)C(C(C(O)C3CO)O)O)=C(OC(O2)C(C(C(C2C)O)O)O)C1=O
M END
