Mol:FL2FEGNS0003
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 |
| − | -2.4891 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4891 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4891 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4891 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7746 -1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7746 -1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0601 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0601 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0601 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0601 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7746 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7746 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3457 -1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3457 -1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3688 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3688 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3688 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3688 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3457 0.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3457 0.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1273 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1273 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8418 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8418 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5563 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5563 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5563 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5563 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8418 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8418 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1273 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1273 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3457 -2.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3457 -2.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7746 -2.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7746 -2.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1502 0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1502 0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1858 1.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1858 1.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7054 0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7054 0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1863 -0.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1863 -0.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1571 -1.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1571 -1.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7054 -1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7054 -1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8418 1.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8418 1.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4260 2.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4260 2.3308 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 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEGNS0003 | + | ID FL2FEGNS0003 |
| − | KNApSAcK_ID C00014139 | + | KNApSAcK_ID C00014139 |
| − | NAME 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone | + | NAME 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone |
| − | CAS_RN 310888-07-4 | + | CAS_RN 310888-07-4 |
| − | FORMULA C18H18O8 | + | FORMULA C18H18O8 |
| − | EXACTMASS 362.100167552 | + | EXACTMASS 362.100167552 |
| − | AVERAGEMASS 362.33072 | + | AVERAGEMASS 362.33072 |
| − | SMILES c(c1OC)(O)cc(O2)c(C(=O)CC2c(c3)cc(c(OC)c(O)3)OC)c1O | + | SMILES c(c1OC)(O)cc(O2)c(C(=O)CC2c(c3)cc(c(OC)c(O)3)OC)c1O |
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
-2.4891 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4891 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7746 -1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0601 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0601 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7746 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3457 -1.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3688 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3688 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3457 0.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5563 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5563 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3457 -2.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7746 -2.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1502 0.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1858 1.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7054 0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1863 -0.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1571 -1.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7054 -1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 1.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4260 2.3308 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
13 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
15 25 1 0 0 0 0
25 26 1 0 0 0 0
S SKP 8
ID FL2FEGNS0003
KNApSAcK_ID C00014139
NAME 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
CAS_RN 310888-07-4
FORMULA C18H18O8
EXACTMASS 362.100167552
AVERAGEMASS 362.33072
SMILES c(c1OC)(O)cc(O2)c(C(=O)CC2c(c3)cc(c(OC)c(O)3)OC)c1O
M END
