Mol:FL1BUNNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.0333 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 1.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0717 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0717 0.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4631 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1107 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4631 0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5173 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7657 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1815 0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 -0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6421 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0622 -0.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 -1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5173 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 -0.7911 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
7 10 2 0 0 0 0
11 4 1 0 0 0 0
8 12 1 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 1 0 0 0 0
16 8 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 14 1 0 0 0 0
12 21 1 0 0 0 0
18 22 1 0 0 0 0
19 23 1 0 0 0 0
6 24 1 0 0 0 0
S SKP 8
ID FL1BUNNS0001
KNApSAcK_ID C00008076
NAME Crombenin
CAS_RN 37486-29-6
FORMULA C16H12O8
EXACTMASS 332.05321735999996
AVERAGEMASS 332.26168
SMILES Oc(c4)cc(O1)c(c(O)4)C(=O)C(O2)1C(O)c(c3)c(cc(O)c(O)3)C2
M END
