Mol:FL63ACNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.4428 0.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 -0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 -0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 -0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 0.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 1.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 1.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -1.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 -1.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -2.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.3303 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
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 6 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
2 16 1 0 0 0 0
3 17 2 0 0 0 0
17 4 1 0 0 0 0
13 18 1 0 0 0 0
17 19 1 0 0 0 0
6 20 1 1 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
7 24 1 6 0 0 0
14 25 1 0 0 0 0
S SKP 8
ID FL63ACNM0001
KNApSAcK_ID C00009317
NAME Dryopteric acid
CAS_RN 126655-10-5
FORMULA C17H16O8
EXACTMASS 348.08451748799996
AVERAGEMASS 348.30413999999996
SMILES OC(=O)CC(C(O)1)c(c(O)3)c(cc(O)c3)OC(c(c2)cc(O)c(O)c2)1
M END
