Mol:FL2FAANI0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-5.0065 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3028 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5988 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5988 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3028 0.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0065 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8949 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1909 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1909 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8949 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
-2.8949 -1.7400 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 1.8439 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
-4.3028 -1.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 1.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7098 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
2.1341 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8503 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 -0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5664 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2809 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9953 0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7098 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9953 -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
CAS_RN 171370-48-2
FORMULA C25H28O5
EXACTMASS
AVERAGEMASS
SMILES
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES CC(C)=CCCC(C)=CCc(c(O)3)cc(cc3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
