Mol:FL5FDCNM0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.0943 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0896 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3845 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3346 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3393 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3728 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7682 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7994 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5185 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5232 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8134 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4773 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4745 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0531 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8134 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3845 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1889 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1889 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7994 1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1864 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1807 0.2025 0.0000 O 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
13 25 1 0 0 0 0
S SKP 8
ID FL5FDCNM0003
KNApSAcK_ID C00013509
NAME 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
CAS_RN 181884-07-1
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c3C)(c(c(O1)c(c3O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O)C)O
M END
