Mol:FL2FAANI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-5.0067 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3029 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5989 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5989 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3029 0.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0067 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8950 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1910 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1910 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8950 0.5937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4877 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8950 -1.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7657 0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0435 0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0435 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7657 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4877 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3029 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7100 0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6971 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4165 0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1342 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8504 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1342 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5665 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2810 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9955 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7100 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9955 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 4 1 0
9 11 1 0
7 12 2 0
11 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 11 1 0
2 18 1 0
15 19 1 0
6 20 1 0
21 22 1 0
22 23 2 0
23 24 1 0
23 25 1 0
24 26 1 0
26 27 1 0
27 28 2 0
28 29 1 0
28 30 1 0
14 21 1 0
S SKP 8
ID FL2FAANI0024
KNApSAcK_ID C00014186
NAME Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone
CAS_RN 171370-48-2
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c3)(cc(C=C(C)CCCC=C(C)C)c(c3)O)C(C2)Oc(c(C(=O)2)1)cc(cc1O)O
M END
