Mol:FL5FFANM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-0.7597 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7550 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0499 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6739 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0382 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1029 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1839 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1886 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0967 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0499 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5235 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8543 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3321 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9753 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4648 1.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8518 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1197 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5235 0.2122 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
9 23 1 0 0 0 0
11 24 1 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
S SKP 8
ID FL5FFANM0002
KNApSAcK_ID C00013508
NAME 5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one
CAS_RN 194157-52-3
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3C)OC)OC)=O)OC)(c1)ccc(O)c1
M END
