Mol:FL5FFANS0025
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1369 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1369 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1369 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1369 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8514 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8514 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5658 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5658 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5658 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5658 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8514 2.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8514 2.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4224 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4224 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2920 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2920 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0065 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0065 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0065 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0065 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2920 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2920 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4224 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4224 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7210 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7210 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4355 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4355 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4355 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4355 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7210 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7210 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2920 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2920 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1499 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1499 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0930 -0.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0930 -0.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1666 2.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1666 2.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7210 -1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7210 -1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7210 1.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7210 1.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3381 2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3381 2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8473 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8473 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8473 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8473 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3785 -1.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3785 -1.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0930 -1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0930 -1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8075 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8075 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4355 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4355 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1499 -1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1499 -1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4355 -2.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4355 -2.4123 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0025 | + | ID FL5FFANS0025 |
| − | KNApSAcK_ID C00013832 | + | KNApSAcK_ID C00013832 |
| − | NAME Tambulin 3,5-diacetata;3,5-Diacetyltambulin;3,5-Bis(acetyloxy)-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Tambulin 3,5-diacetata;3,5-Diacetyltambulin;3,5-Bis(acetyloxy)-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 58264-77-0 | + | CAS_RN 58264-77-0 |
| − | FORMULA C22H20O9 | + | FORMULA C22H20O9 |
| − | EXACTMASS 428.11073223799997 | + | EXACTMASS 428.11073223799997 |
| − | AVERAGEMASS 428.3888 | + | AVERAGEMASS 428.3888 |
| − | SMILES O(C)c(c1)ccc(C(O2)=C(C(=O)c(c(OC(C)=O)3)c2c(OC)c(OC)c3)OC(C)=O)c1 | + | SMILES O(C)c(c1)ccc(C(O2)=C(C(=O)c(c(OC(C)=O)3)c2c(OC)c(OC)c3)OC(C)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
1.1369 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1369 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5658 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5658 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 2.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4224 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2920 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0065 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0065 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2920 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4224 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4355 0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4355 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2920 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1499 1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 -0.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1666 2.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 -1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 1.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3381 2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8473 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8473 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3785 -1.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 -1.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8075 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4355 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1499 -1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4355 -2.4123 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
18 24 1 0 0 0 0
20 25 1 0 0 0 0
19 27 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL5FFANS0025
KNApSAcK_ID C00013832
NAME Tambulin 3,5-diacetata;3,5-Diacetyltambulin;3,5-Bis(acetyloxy)-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 58264-77-0
FORMULA C22H20O9
EXACTMASS 428.11073223799997
AVERAGEMASS 428.3888
SMILES O(C)c(c1)ccc(C(O2)=C(C(=O)c(c(OC(C)=O)3)c2c(OC)c(OC)c3)OC(C)=O)c1
M END
