Mol:FL2FAANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.5552 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5134 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5134 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5552 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5283 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5283 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0487 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 -1.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5831 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5831 1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 0.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 -1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0343 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5552 1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3922 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6509 0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6509 1.2521 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 18 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
15 25 1 0 0 0 0
S SKP 8
ID FL2FAANP0003
KNApSAcK_ID C00008450
NAME Citflavanone
CAS_RN 70872-27-4
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(O)c2
M END
