Mol:FL2FADNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8425 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8425 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8413 -1.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8413 -1.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1246 -2.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1246 -2.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4123 -1.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4123 -1.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4124 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4124 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1270 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1270 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6956 -2.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6956 -2.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0166 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0166 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0154 -0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0154 -0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6980 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6980 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7320 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7320 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4454 -0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4454 -0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1598 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1598 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1597 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1597 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4452 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4452 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7308 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7308 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6999 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6999 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1288 -2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1288 -2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5548 -0.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5548 -0.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8213 -0.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8213 -0.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4894 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4894 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8404 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8404 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8404 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8404 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5548 2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5548 2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1259 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1259 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4114 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4114 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1259 2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1259 2.8780 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 |
| − | 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNS0002 | + | ID FL2FADNS0002 |
| − | KNApSAcK_ID C00014142 | + | KNApSAcK_ID C00014142 |
| − | NAME 5,7,4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate | + | NAME 5,7,4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate |
| − | CAS_RN 140163-21-9 | + | CAS_RN 140163-21-9 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES C(Oc(c3)c(cc(c3)C(C1)Oc(c2)c(c(cc(O)2)O)C(=O)1)OC)(=O)C(C)C | + | SMILES C(Oc(c3)c(cc(c3)C(C1)Oc(c2)c(c(cc(O)2)O)C(=O)1)OC)(=O)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.8425 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8413 -1.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1246 -2.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4123 -1.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4124 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1270 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6956 -2.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0166 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0154 -0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6980 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7320 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4454 -0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1598 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1597 0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4452 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7308 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6999 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 -2.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5548 -0.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8213 -0.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4894 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8404 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8404 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5548 2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1259 2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4114 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1259 2.8780 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 22 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL2FADNS0002
KNApSAcK_ID C00014142
NAME 5,7,4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate
CAS_RN 140163-21-9
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES C(Oc(c3)c(cc(c3)C(C1)Oc(c2)c(c(cc(O)2)O)C(=O)1)OC)(=O)C(C)C
M END
