Mol:FL2FA9NI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7374 -0.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7374 -0.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7374 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7374 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6248 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6248 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6248 -0.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6248 -0.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0685 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0685 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4878 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4878 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4878 -0.2770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4878 -0.2770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0685 0.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0685 0.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0439 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0439 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6109 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6109 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1779 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1779 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1779 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1779 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6109 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6109 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0439 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0439 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0685 -1.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0685 -1.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 -1.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 -1.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1779 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1779 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7206 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7206 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7206 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7206 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8545 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8545 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5866 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5866 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5866 3.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5866 3.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0006 | + | ID FL2FA9NI0006 |
| − | KNApSAcK_ID C00008175 | + | KNApSAcK_ID C00008175 |
| − | NAME 5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone | + | NAME 5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone |
| − | CAS_RN 74161-07-2 | + | CAS_RN 74161-07-2 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C(=O)(C2)c(c1OC2c(c3)cccc3)c(cc(O)c(CC=C(C=O)C)1)O | + | SMILES C(=O)(C2)c(c1OC2c(c3)cccc3)c(cc(O)c(CC=C(C=O)C)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7374 -0.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7374 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6248 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6248 -0.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0685 -1.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4878 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4878 -0.2770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0685 0.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0439 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6109 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6109 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0439 0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0685 -1.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 -1.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1779 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7206 0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7206 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8545 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5866 2.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5866 3.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
S SKP 8
ID FL2FA9NI0006
KNApSAcK_ID C00008175
NAME 5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone
CAS_RN 74161-07-2
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C(=O)(C2)c(c1OC2c(c3)cccc3)c(cc(O)c(CC=C(C=O)C)1)O
M END
