Mol:FL5FFANS0024
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7191 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7191 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7287 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7287 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0691 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0691 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6813 -0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6813 -0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7124 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7124 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0191 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0191 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4268 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4268 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3877 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3877 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1365 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1365 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1444 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1444 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4343 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4343 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0691 -1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0691 -1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1421 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1421 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8607 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8607 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8631 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8631 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1476 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1476 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4331 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4331 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3877 2.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3877 2.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3958 -0.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3958 -0.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6048 2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6048 2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2799 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2799 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6813 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6813 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3958 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3958 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1102 -1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1102 -1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9799 2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9799 2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4343 -1.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4343 -1.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1488 -2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1488 -2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1488 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1488 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8633 -1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8633 -1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8509 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8509 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5654 0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5654 0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5654 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5654 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2799 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2799 1.2628 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 8 2 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 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
| − | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 7 1 0 0 0 0 | + | 17 7 1 0 0 0 0 |
| − | 11 26 1 0 0 0 0 | + | 11 26 1 0 0 0 0 |
| − | 9 30 1 0 0 0 0 | + | 9 30 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0024 | + | ID FL5FFANS0024 |
| − | KNApSAcK_ID C00013545 | + | KNApSAcK_ID C00013545 |
| − | NAME 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 117155-59-6 | + | CAS_RN 117155-59-6 |
| − | FORMULA C23H20O10 | + | FORMULA C23H20O10 |
| − | EXACTMASS 456.10564686 | + | EXACTMASS 456.10564686 |
| − | AVERAGEMASS 456.3989 | + | AVERAGEMASS 456.3989 |
| − | SMILES O(C)c(c1)ccc(C(O3)=C(OC(C)=O)C(=O)c(c23)c(cc(c2OC)OC(C)=O)OC(C)=O)c1 | + | SMILES O(C)c(c1)ccc(C(O3)=C(OC(C)=O)C(=O)c(c23)c(cc(c2OC)OC(C)=O)OC(C)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-0.7191 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7287 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0691 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0191 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1365 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1444 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4343 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0691 -1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1421 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8607 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8631 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1476 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4331 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 2.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -0.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6048 2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2799 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1102 -1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9799 2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4343 -1.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1488 -2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1488 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8633 -1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5654 0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5654 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2799 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 5 1 0 0 0 0
2 8 2 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 1 2 0 0 0 0
3 12 2 0 0 0 0
7 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 7 1 0 0 0 0
11 26 1 0 0 0 0
9 30 1 0 0 0 0
8 18 1 0 0 0 0
4 19 1 0 0 0 0
19 23 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
18 25 1 0 0 0 0
26 28 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
30 32 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL5FFANS0024
KNApSAcK_ID C00013545
NAME 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 117155-59-6
FORMULA C23H20O10
EXACTMASS 456.10564686
AVERAGEMASS 456.3989
SMILES O(C)c(c1)ccc(C(O3)=C(OC(C)=O)C(=O)c(c23)c(cc(c2OC)OC(C)=O)OC(C)=O)c1
M END
