Mol:FL3FALNI0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4323 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4323 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8612 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8612 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0033 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0033 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8545 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5757 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5757 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 -0.8250 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
1 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 2 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
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
15 21 1 0 0 0 0
12 22 1 0 0 0 0
18 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
22 29 1 0 0 0 0
S SKP 8
ID FL3FALNI0022
KNApSAcK_ID C00013423
NAME Artoindonesianin R;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 502718-02-7
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c1O)c(cc(O2)c1C(C(CC=C(C)C)=C(c(c(OC)3)cc(O)c(OC)c3)2)=O)O
M END
