Mol:FL2FF9NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2629 0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2629 0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2607 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2607 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5437 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5437 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1679 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1679 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1678 0.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1678 0.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5476 0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5476 0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8860 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8860 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5969 -0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5969 -0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8822 0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8822 0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3094 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3094 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0222 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0222 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7366 0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7366 0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7365 1.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7365 1.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0220 1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0220 1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3076 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3076 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8860 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8860 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9774 0.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9774 0.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2624 1.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2624 1.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5476 1.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5476 1.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5437 -1.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5437 -1.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8813 -0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8813 -0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5676 -0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5676 -0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1485 -0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1485 -0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7366 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7366 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1485 -1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1485 -1.5206 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 1 0 0 0 | + | 9 11 1 1 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FF9NI0002 | + | ID FL2FF9NI0002 |
| − | KNApSAcK_ID C00014160 | + | KNApSAcK_ID C00014160 |
| − | NAME Microfolione;(2R)-5,7-Dihydroxy-8-methoxy-6-prenylflavanone | + | NAME Microfolione;(2R)-5,7-Dihydroxy-8-methoxy-6-prenylflavanone |
| − | CAS_RN 462112-95-4 | + | CAS_RN 462112-95-4 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c12)c(c(CC=C(C)C)c(c1C(=O)CC(c(c3)cccc3)O2)O)O | + | SMILES COc(c12)c(c(CC=C(C)C)c(c1C(=O)CC(c(c3)cccc3)O2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.2629 0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2607 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5437 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1679 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1678 0.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5476 0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 -0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8822 0.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3094 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0222 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7366 0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7365 1.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0220 1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3076 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8860 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9774 0.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2624 1.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5476 1.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5437 -1.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8813 -0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5676 -0.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1485 -0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7366 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1485 -1.5206 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 1 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
1 18 1 0 0 0 0
6 20 1 0 0 0 0
19 20 1 0 0 0 0
3 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL2FF9NI0002
KNApSAcK_ID C00014160
NAME Microfolione;(2R)-5,7-Dihydroxy-8-methoxy-6-prenylflavanone
CAS_RN 462112-95-4
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c12)c(c(CC=C(C)C)c(c1C(=O)CC(c(c3)cccc3)O2)O)O
M END
