Mol:FL1CA9NP0012
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 |
| − | -2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6131 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6131 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6737 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6737 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -1.1278 0.0000 O 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 3 1 0 0 0 0 | + | 23 3 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0012 | + | ID FL1CA9NP0012 |
| − | KNApSAcK_ID C00014448 | + | KNApSAcK_ID C00014448 |
| − | NAME 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone | + | NAME 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone |
| − | CAS_RN 140158-54-9 | + | CAS_RN 140158-54-9 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c2)c(c(O3)c(CC(C3(C)C)O)c(O)2)C(=O)C=Cc(c1)cccc1 | + | SMILES COc(c2)c(c(O3)c(CC(C3(C)C)O)c(O)2)C(=O)C=Cc(c1)cccc1 |
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
-2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 1.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6131 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 -1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.1278 0.0000 O 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
1 17 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 3 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL1CA9NP0012
KNApSAcK_ID C00014448
NAME 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone
CAS_RN 140158-54-9
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c2)c(c(O3)c(CC(C3(C)C)O)c(O)2)C(=O)C=Cc(c1)cccc1
M END
