Mol:FL2F3CNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8234 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8234 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8234 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8234 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1089 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1089 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3945 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3945 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3945 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3945 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1089 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1089 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6800 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6800 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0345 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0345 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0345 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0345 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6800 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6800 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7930 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7930 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5074 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5074 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2219 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2219 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2219 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2219 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5074 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5074 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7930 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7930 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6800 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6800 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4938 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4938 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1089 1.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1089 1.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8937 1.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8937 1.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6849 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6849 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8648 0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8648 0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4938 0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4938 0.5740 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F3CNS0003 | + | ID FL2F3CNS0003 |
| − | KNApSAcK_ID C00014127 | + | KNApSAcK_ID C00014127 |
| − | NAME 7,4'-Dihydroxy-8,3'-dimethoxyflavanone | + | NAME 7,4'-Dihydroxy-8,3'-dimethoxyflavanone |
| − | CAS_RN 207906-24-9 | + | CAS_RN 207906-24-9 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(ccc(O)2)C(=O)1 | + | SMILES COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(ccc(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/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.8234 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8234 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1089 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3945 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3945 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1089 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6800 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0345 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0345 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6800 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7930 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5074 0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2219 0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2219 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5074 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7930 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6800 -1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4938 0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1089 1.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8937 1.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6849 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8648 0.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4938 0.5740 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
1 18 1 0 0 0 0
6 19 1 0 0 0 0
14 20 1 0 0 0 0
19 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
S SKP 8
ID FL2F3CNS0003
KNApSAcK_ID C00014127
NAME 7,4'-Dihydroxy-8,3'-dimethoxyflavanone
CAS_RN 207906-24-9
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(ccc(O)2)C(=O)1
M END
