Mol:FL1BAGNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1444 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1444 -1.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 -2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 -0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 -1.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0012 -0.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7151 -0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2976 -2.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1446 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1444 1.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4297 2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 1.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7157 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8589 -0.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8589 2.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4299 -2.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4297 2.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0012 2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3794 -1.2089 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
3 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 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
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
8 23 1 0 0 0 0
S SKP 8
ID FL1BAGNS0001
KNApSAcK_ID C00014659
NAME Amaronol A;(+)- 2,4,6-Trihydroxy-2-[(3,4,5-trihydroxyphenyl)methyl]-3(2H)-benzofuranone
CAS_RN 226560-96-9
FORMULA C15H12O8
EXACTMASS 320.05321735999996
AVERAGEMASS 320.25098
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)(Cc(c2)cc(O)c(O)c(O)2)1
M END
