Mol:FL2FA8NS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.8627 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8627 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4338 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4338 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2807 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9952 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9952 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2807 0.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1826 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1826 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2807 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5331 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1826 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1483 -2.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 -0.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 -1.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4681 2.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0171 2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7170 -2.4601 0.0000 C 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
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
9 11 1 0 0 0 0
11 12 2 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 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
20 25 1 0 0 0 0
S SKP 8
ID FL2FA8NS0011
KNApSAcK_ID C00014130
NAME 5,7,2',5'-Tetramethoxyflavanone
CAS_RN 85486-95-9
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c(C(O2)CC(c(c(OC)3)c2cc(OC)c3)=O)1)(OC)ccc(OC)c1
M END
