Mol:FL2FABNM0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7923 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7923 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7910 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7910 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0743 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0743 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3621 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3621 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3622 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3622 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0767 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0767 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6454 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6454 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0668 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0668 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0656 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0656 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6478 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6478 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7822 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7822 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4957 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4957 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2101 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2101 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2100 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2100 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4954 1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4954 1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7810 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7810 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6496 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6496 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0786 -1.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0786 -1.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5046 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5046 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8783 1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8783 1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5046 1.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5046 1.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0767 1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0767 1.3756 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 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNM0002 | + | ID FL2FABNM0002 |
| − | KNApSAcK_ID C00014146 | + | KNApSAcK_ID C00014146 |
| − | NAME 5,7-Dihydroxy-4'-methoxy-8-methylflavanone | + | NAME 5,7-Dihydroxy-4'-methoxy-8-methylflavanone |
| − | CAS_RN 109248-40-0 | + | CAS_RN 109248-40-0 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c3)ccc(c3)C(C1)Oc(c(C)2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c3)ccc(c3)C(C1)Oc(c(C)2)c(c(O)cc(O)2)C(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.7923 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7910 -0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0743 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3621 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0767 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6454 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0668 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0656 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6478 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7822 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4957 0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2101 0.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4954 1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6496 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0786 -1.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5046 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8783 1.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 1.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0767 1.3756 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 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
S SKP 8
ID FL2FABNM0002
KNApSAcK_ID C00014146
NAME 5,7-Dihydroxy-4'-methoxy-8-methylflavanone
CAS_RN 109248-40-0
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)ccc(c3)C(C1)Oc(c(C)2)c(c(O)cc(O)2)C(=O)1
M END
