Mol:FLIA1CNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.7104 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5978 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5978 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5148 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5148 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 0.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 -1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2604 -0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 -1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2673 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1541 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2667 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4223 2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -2.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7708 -1.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 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 5 1 0 0 0 0
8 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
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 14 1 0 0 0 0
S SKP 8
ID FLIA1CNP0001
KNApSAcK_ID C00009438
NAME Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone
CAS_RN 62502-14-1
FORMULA C21H16O5
EXACTMASS 348.099773622
AVERAGEMASS 348.34874
SMILES O(C1)c(c2)c(ccc(C(C(=O)5)=COc(c54)c(c(cc4)3)C=CC(C)(C)O3)2)O1
M END
