Mol:FL5FAAGS0079
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
1.6611 4.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6611 3.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3756 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 3.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0899 4.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3756 4.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9467 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2322 3.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4822 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4822 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2322 1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9467 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 3.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2322 1.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6255 3.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6781 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6906 4.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 1.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6339 -0.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4080 -0.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3365 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6940 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9199 0.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9912 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5537 -0.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2809 -0.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7161 -1.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2434 -1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0635 0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2433 -1.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6559 -2.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8624 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0641 -2.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3487 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4449 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0688 -2.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3166 -2.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1315 -2.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 -1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7819 -3.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1944 -4.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4010 -3.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -4.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1899 -3.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9835 -3.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5867 -4.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9376 -4.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6906 -3.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4337 -3.4608 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 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 29 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
46 49 1 0 0 0 0
45 50 1 0 0 0 0
44 51 1 0 0 0 0
43 52 1 0 0 0 0
47 40 1 0 0 0 0
S SKP 5
ID FL5FAAGS0079
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES OC(C(OC(C5=O)=C(Oc(c6)c5c(O)cc6O)c(c4)ccc(O)c4)3)C(C(O)C(O3)COC(C1O)OC(C(O)C(OC(C(O)2)OC(C(O)C2O)C)1)C)O
M END
