Mol:FL5F2GNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0698 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0698 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0698 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0698 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7843 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7843 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4988 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4988 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4988 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4988 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7843 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7843 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3554 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3554 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3591 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3591 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3590 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3590 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3554 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3554 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0735 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0735 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5023 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5023 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5023 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5023 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0734 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0734 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3554 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3554 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2133 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2133 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0736 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0736 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2168 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2168 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7879 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2156 -0.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2156 -0.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9277 0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9277 0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2132 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2132 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9277 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9277 -1.0314 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F2GNS0001 | + | ID FL5F2GNS0001 |
| − | KNApSAcK_ID C00013374 | + | KNApSAcK_ID C00013374 |
| − | NAME Inucrithmin;2-(3,4-Dihydroxy-5-methoxyphenyl)-3,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one | + | NAME Inucrithmin;2-(3,4-Dihydroxy-5-methoxyphenyl)-3,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 179085-60-0 | + | CAS_RN 179085-60-0 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c(O)3)cc(C(=O)2)c(c3)OC(=C(O)2)c(c1)cc(OC)c(O)c(O)1 | + | SMILES COc(c(O)3)cc(C(=O)2)c(c3)OC(=C(O)2)c(c1)cc(OC)c(O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.0698 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0698 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7843 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4988 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4988 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7843 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3554 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3591 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3590 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3554 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0735 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5023 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5023 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0734 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3554 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2133 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0736 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2168 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7879 2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2156 -0.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9277 0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2132 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9277 -1.0314 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
8 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
5 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL5F2GNS0001
KNApSAcK_ID C00013374
NAME Inucrithmin;2-(3,4-Dihydroxy-5-methoxyphenyl)-3,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 179085-60-0
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c(O)3)cc(C(=O)2)c(c3)OC(=C(O)2)c(c1)cc(OC)c(O)c(O)1
M END
