Mol:FL2FFANS0005
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -2.8087 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8087 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8087 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8087 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0943 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0943 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3798 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3798 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3798 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3798 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0943 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0943 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6653 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6653 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0491 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0491 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0491 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0491 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6653 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6653 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8076 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8076 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5221 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5221 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2366 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2366 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2366 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2366 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5221 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5221 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8076 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8076 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6653 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6653 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0943 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0943 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4830 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4830 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0943 1.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0943 1.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8811 1.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8811 1.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4830 1.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4830 1.4316 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FFANS0005 | + | ID FL2FFANS0005 |
| − | KNApSAcK_ID C00014116 | + | KNApSAcK_ID C00014116 |
| − | NAME 5,7,8-Trihydroxy-4'-methoxyflavanone | + | NAME 5,7,8-Trihydroxy-4'-methoxyflavanone |
| − | CAS_RN 244775-34-6 | + | CAS_RN 244775-34-6 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c3)ccc(c3)C(C1)Oc(c(O)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
-2.8087 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8087 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3798 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3798 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6653 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0491 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0491 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6653 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5221 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5221 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8076 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6653 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 -1.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4830 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0943 1.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8811 1.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4830 1.4316 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 6 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
6 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL2FFANS0005
KNApSAcK_ID C00014116
NAME 5,7,8-Trihydroxy-4'-methoxyflavanone
CAS_RN 244775-34-6
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1
M END
