Mol:FLIBALNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.6966 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6957 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3052 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 0.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 0.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -0.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7335 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3421 -0.9792 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 2 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 13 2 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
S SKP 8
ID FLIBALNS0002
KNApSAcK_ID C00002520
NAME (+-)-Dalbergioidin
CAS_RN 30368-42-4
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)cc(O)c(c3)C(C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M END
