Mol:FL7AACGL0038
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.2222 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2222 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4776 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7329 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7329 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4776 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9882 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2435 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2435 1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9882 1.5048 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5009 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0189 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0189 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 2.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9667 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7776 2.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4776 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5417 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2224 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9129 -2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6075 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9667 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2762 -2.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9364 -1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6839 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3249 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -0.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7100 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0691 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3787 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9773 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8912 0.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7336 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4729 -0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8279 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5637 -2.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6075 -3.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1456 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5208 -3.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3206 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2599 3.6953 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
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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
39 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
15 45 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0038
FORMULA C29H33O16
EXACTMASS 637.176860008
AVERAGEMASS 637.56272
SMILES c(c1c(c3OC(O4)C(O)C(O)C(C(COC(C(O)5)OC(C(OC(C)=O)C5O)C)4)O)[o+1]c(c(c3)2)cc(cc(O)2)O)cc(c(c1)O)O
M END
