Mol:FL3FA9NP0005
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0490 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6655 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6655 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6655 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6214 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6214 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0911 1.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0911 1.1877 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 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 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 5 1 0 0 0 0 | + | 23 5 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NP0005 | + | ID FL3FA9NP0005 |
| − | KNApSAcK_ID C00013428 | + | KNApSAcK_ID C00013428 |
| − | NAME 5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME 5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 74517-64-9 | + | CAS_RN 74517-64-9 |
| − | FORMULA C21H18O4 | + | FORMULA C21H18O4 |
| − | EXACTMASS 334.120509064 | + | EXACTMASS 334.120509064 |
| − | AVERAGEMASS 334.36521999999997 | + | AVERAGEMASS 334.36521999999997 |
| − | SMILES O(C)c(c31)c(C=4)c(OC(C4)(C)C)cc1OC(=CC3=O)c(c2)cccc2 | + | SMILES O(C)c(c31)c(C=4)c(OC(C4)(C)C)cc1OC(=CC3=O)c(c2)cccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
0.0490 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0911 1.1877 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 5 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL3FA9NP0005
KNApSAcK_ID C00013428
NAME 5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 74517-64-9
FORMULA C21H18O4
EXACTMASS 334.120509064
AVERAGEMASS 334.36521999999997
SMILES O(C)c(c31)c(C=4)c(OC(C4)(C)C)cc1OC(=CC3=O)c(c2)cccc2
M END
