Mol:FL5FPTNS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8231 -0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8231 -0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 13 1 0 0 0 0 | + | 21 13 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FPTNS0006 | + | ID FL5FPTNS0006 |
| − | KNApSAcK_ID C00005112 | + | KNApSAcK_ID C00005112 |
| − | NAME Mopanin;3,4,10-Trihydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one;Mopanine | + | NAME Mopanin;3,4,10-Trihydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one;Mopanine |
| − | CAS_RN 17093-84-4 | + | CAS_RN 17093-84-4 |
| − | FORMULA C16H10O6 | + | FORMULA C16H10O6 |
| − | EXACTMASS 298.047738052 | + | EXACTMASS 298.047738052 |
| − | AVERAGEMASS 298.24699999999996 | + | AVERAGEMASS 298.24699999999996 |
| − | SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)=C1c(c2)c(C3)c(O)c(O)c2 | + | SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)=C1c(c2)c(C3)c(O)c(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.9630 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8231 -0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
21 13 1 0 0 0 0
14 22 1 0 0 0 0
S SKP 8
ID FL5FPTNS0006
KNApSAcK_ID C00005112
NAME Mopanin;3,4,10-Trihydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one;Mopanine
CAS_RN 17093-84-4
FORMULA C16H10O6
EXACTMASS 298.047738052
AVERAGEMASS 298.24699999999996
SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)=C1c(c2)c(C3)c(O)c(O)c2
M END
