Mol:FL4DAANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -1.0313 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 |
| − | 10 5 1 0 0 0 0 | + | 10 5 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANS0001 | + | ID FL4DAANS0001 |
| − | KNApSAcK_ID C00007234 | + | KNApSAcK_ID C00007234 |
| − | NAME (+)-Dihydrokaempferol;(+)-Aromadendrin;Katuranin;(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME (+)-Dihydrokaempferol;(+)-Aromadendrin;Katuranin;(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 480-20-6 | + | CAS_RN 480-20-6 |
| − | FORMULA C15H12O6 | + | FORMULA C15H12O6 |
| − | EXACTMASS 288.063388116 | + | EXACTMASS 288.063388116 |
| − | AVERAGEMASS 288.25218 | + | AVERAGEMASS 288.25218 |
| − | SMILES Oc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES Oc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.0313 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
10 5 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
14 17 1 0 0 0 0
8 9 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
7 20 2 0 0 0 0
9 10 1 0 0 0 0
8 21 1 1 0 0 0
9 11 1 6 0 0 0
S SKP 8
ID FL4DAANS0001
KNApSAcK_ID C00007234
NAME (+)-Dihydrokaempferol;(+)-Aromadendrin;Katuranin;(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 480-20-6
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)ccc(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
