Mol:FL1CHYNS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2867 -1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2867 -1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4500 -1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4500 -1.8904 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNS0010 | + | ID FL1CHYNS0010 |
| − | KNApSAcK_ID C00014439 | + | KNApSAcK_ID C00014439 |
| − | NAME 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone | + | NAME 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone |
| − | CAS_RN 622851-67-6 | + | CAS_RN 622851-67-6 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES COC(=CC(=O)c(c3)cc(c(c3)2)OCO2)c(c1OC)c(cc(c1)OC)OC | + | SMILES COC(=CC(=O)c(c3)cc(c(c3)2)OCO2)c(c1OC)c(cc(c1)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-3.2658 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1224 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1224 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4079 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2867 -1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7229 1.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8789 1.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4079 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 -1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4500 -1.8904 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 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
10 17 1 0 0 0 0
17 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL1CHYNS0010
KNApSAcK_ID C00014439
NAME 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
CAS_RN 622851-67-6
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES COC(=CC(=O)c(c3)cc(c(c3)2)OCO2)c(c1OC)c(cc(c1)OC)OC
M END
