Mol:FL5FFCNI0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0372 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0372 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0324 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0324 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6498 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6498 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3811 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3811 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4021 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4021 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6845 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6845 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7961 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7961 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0991 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0991 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7198 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7198 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4523 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4523 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4644 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4644 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7705 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7705 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5402 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5402 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5215 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5215 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8021 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8021 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1211 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1211 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7571 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7571 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6631 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6631 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1021 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1021 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1734 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1734 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2392 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2392 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2339 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2339 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8879 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8879 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7198 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7198 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4342 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4342 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6023 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6023 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3168 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3168 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3168 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3168 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0313 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0313 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0313 0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0313 0.4275 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 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 9 24 1 0 0 0 0 | + | 9 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 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 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNI0008 | + | ID FL5FFCNI0008 |
| − | KNApSAcK_ID C00013529 | + | KNApSAcK_ID C00013529 |
| − | NAME 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one | + | NAME 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 232932-39-7 | + | CAS_RN 232932-39-7 |
| − | FORMULA C22H22O8 | + | FORMULA C22H22O8 |
| − | EXACTMASS 414.13146768 | + | EXACTMASS 414.13146768 |
| − | AVERAGEMASS 414.40528000000006 | + | AVERAGEMASS 414.40528000000006 |
| − | SMILES O(c(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)c(OC)c(cc2O)OCC=C(C)C)C | + | SMILES O(c(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)c(OC)c(cc2O)OCC=C(C)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/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.0372 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0324 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6498 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3811 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4021 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6845 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7961 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0991 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4523 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4644 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7705 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5402 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5215 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8021 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1211 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7571 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1021 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1734 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2392 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2339 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8879 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4342 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6023 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3168 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3168 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0313 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0313 0.4275 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 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
13 22 1 0 0 0 0
20 23 1 0 0 0 0
9 24 1 0 0 0 0
24 25 1 0 0 0 0
23 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
22 30 1 0 0 0 0
S SKP 8
ID FL5FFCNI0008
KNApSAcK_ID C00013529
NAME 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
CAS_RN 232932-39-7
FORMULA C22H22O8
EXACTMASS 414.13146768
AVERAGEMASS 414.40528000000006
SMILES O(c(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)c(OC)c(cc2O)OCC=C(C)C)C
M END
