Mol:FL7AAAGL0066
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.1793 2.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1793 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4649 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 2.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4649 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0359 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6785 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6785 2.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0359 2.9301 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.4551 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1695 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1695 4.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4551 3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5242 4.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7593 2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4649 0.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3287 1.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3706 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6863 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2894 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 0.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2323 -0.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5703 -0.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4709 -1.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 -1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 -0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9878 -0.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5512 -1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9994 -2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1954 -2.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4088 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9603 -1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7644 -1.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5242 -2.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1279 -1.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7550 -2.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3590 -3.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3030 -3.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8573 -4.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7647 -4.1537 0.0000 C 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
3 4 1 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
23 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
31 36 1 0 0 0 0
24 20 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0066
FORMULA C29H33O15
EXACTMASS 621.181945386
AVERAGEMASS 621.56332
SMILES OC(C2O)C(Oc(c4)c([o+1]c(c5)c4c(O)cc5O)c(c3)ccc(O)c3)OC(C2O)COC(C1OC(C)=O)OC(C)C(O)C(O)1
M END
