Mol:FL3FCCNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 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 -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 | + | -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 | + | -2.1924 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 -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 | + | -2.9069 -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 | + | -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 | + | -0.7635 -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 -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 | + | -0.0490 -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 | + | -0.7635 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 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 0.6655 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 | + | -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 | + | -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 | + | -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 | + | -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 | + | -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 | + | 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 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 3.8055 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 14 1 0 0 0 0 | + | 25 14 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCCNP0001 | + | ID FL3FCCNP0001 |
| − | KNApSAcK_ID C00013394 | + | KNApSAcK_ID C00013394 |
| − | NAME Muxiangrin II;Muxiangrine II;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one | + | NAME Muxiangrin II;Muxiangrine II;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one |
| − | CAS_RN 223917-02-0 | + | CAS_RN 223917-02-0 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES C(=C1)C(Oc(c2O)c(cc(C(O4)=CC(=O)c(c43)c(c(c(c3)OC)C)O)c2)1)(C)C | + | SMILES C(=C1)C(Oc(c2O)c(cc(C(O4)=CC(=O)c(c43)c(c(c(c3)OC)C)O)c2)1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 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
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
S SKP 8
ID FL3FCCNP0001
KNApSAcK_ID C00013394
NAME Muxiangrin II;Muxiangrine II;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one
CAS_RN 223917-02-0
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES C(=C1)C(Oc(c2O)c(cc(C(O4)=CC(=O)c(c43)c(c(c(c3)OC)C)O)c2)1)(C)C
M END
