Mol:FL3FAGNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.9629 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4931 1.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9282 -1.3010 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 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
1 20 1 0 0 0 0
16 21 1 0 0 0 0
14 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL3FAGNI0001
KNApSAcK_ID C00004039
NAME Asplenetin
CAS_RN 97180-29-5
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES O(c21)C(c(c3)cc(O)c(O)c(O)3)=C(CCC(C)C)C(=O)c1c(cc(O)c2)O
M END
