Mol:FL5FAAGL0078
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.4311 2.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4311 1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7167 1.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 2.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7167 2.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2877 1.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5733 1.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5733 2.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2877 2.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2877 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 2.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8277 2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 2.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 3.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8277 4.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 3.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7167 0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2148 4.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0933 3.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2351 1.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3618 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6927 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4422 0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9833 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6525 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9030 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6214 1.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6250 1.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2182 0.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6171 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0665 -2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8127 -2.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5552 -1.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8163 -1.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6697 -1.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 -1.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9677 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5659 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0933 -2.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5659 -3.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4309 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1843 -1.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4309 -0.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3177 -2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 -3.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3294 -3.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0154 -3.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0240 -4.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5552 -0.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
23 21 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 32 1 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
37 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
32 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
35 50 1 0 0 0 0
50 31 1 0 0 0 0
S SKP 5
ID FL5FAAGL0078
FORMULA C32H34O18
EXACTMASS 706.174514284
AVERAGEMASS 706.6015600000001
SMILES O(C(COC(C)=O)1)C(OCC(O2)C(O)C(O)C(C2OC(C4=O)=C(Oc(c5)c(c(O)cc5O)4)c(c3)ccc(O)c3)O)C(C(OC(C)=O)1)OC(C)=O
M END
