Mol:FL3FCCNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.4779 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3358 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8055 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 1.0313 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
4 18 1 0 0 0 0
6 19 1 0 0 0 0
5 20 1 0 0 0 0
18 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 14 1 0 0 0 0
15 26 1 0 0 0 0
24 27 1 0 0 0 0
24 28 1 0 0 0 0
3 29 1 0 0 0 0
S SKP 8
ID FL3FCCNP0002
KNApSAcK_ID C00013395
NAME Muxiangrin I;Muxiangrine I;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
CAS_RN 223917-00-8
FORMULA C23H22O6
EXACTMASS 394.141638436
AVERAGEMASS 394.41718000000003
SMILES C(=C1)C(Oc(c(O)4)c(cc(c4)C(=C3)Oc(c(C(=O)3)2)c(C)c(c(C)c2O)OC)1)(C)C
M END
