Mol:FL5FDFNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0345 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0298 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3944 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3130 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8281 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1159 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7396 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4587 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4634 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5371 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5343 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8220 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2488 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1291 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0573 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7006 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1266 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2405 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9620 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9620 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9431 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
14 19 1 0 0 0 0
10 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
11 23 1 0 0 0 0
13 24 1 0 0 0 0
20 25 1 0 0 0 0
19 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL5FDFNM0001
KNApSAcK_ID C00013512
NAME 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
CAS_RN 54945-91-4
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES c(c1)c(OC)c(cc1C(O2)=C(C(c(c(O)3)c2cc(OC)c3C)=O)OC)OC
M END
