Mol:FL6DDANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
1.1207 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4483 1.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
3 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 4 2 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
1 15 1 6 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
18 21 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
10 24 1 0 0 0 0
5 26 1 1 0 0 0
6 28 1 1 0 0 0
24 25 1 0 0 0 0
26 27 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL6DDANP0001
KNApSAcK_ID C00013270
NAME 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan
CAS_RN 462109-98-4
FORMULA C23H26O6
EXACTMASS 398.172938564
AVERAGEMASS 398.44894
SMILES C(OC)(C1c(c4)ccc(c4)O)C(OC)c(c(OC)2)c(cc(O3)c2C=CC3(C)C)O1
M END
