Mol:FLIBALNP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5120 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5120 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5120 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5120 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9557 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9557 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3993 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3993 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3993 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3993 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9557 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9557 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1570 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1570 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7133 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7133 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7133 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7133 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1570 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1570 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2694 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2694 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8641 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8641 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4589 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4589 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4589 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4589 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8641 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8641 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1570 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1570 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0485 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0485 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0681 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0681 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9557 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9557 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5117 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5117 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5117 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5117 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9557 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9557 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0678 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0678 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8641 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8641 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9557 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9557 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6246 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6246 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6246 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6246 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0683 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0683 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6246 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6246 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0485 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0485 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 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 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 2 1 0 0 0 0 | + | 29 2 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNP0007 | + | ID FLIBALNP0007 |
| − | KNApSAcK_ID C00009971 | + | KNApSAcK_ID C00009971 |
| − | NAME 2,3-Dihydroauriculatin;5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone | + | NAME 2,3-Dihydroauriculatin;5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone |
| − | CAS_RN 105594-10-3 | + | CAS_RN 105594-10-3 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OCC(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C | + | SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OCC(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.5120 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5120 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3993 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3993 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7133 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7133 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4589 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1570 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0485 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0681 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0678 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8641 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0683 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0485 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
18 14 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
16 25 1 0 0 0 0
3 26 1 0 0 0 0
19 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 2 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
S SKP 8
ID FLIBALNP0007
KNApSAcK_ID C00009971
NAME 2,3-Dihydroauriculatin;5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone
CAS_RN 105594-10-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OCC(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C
M END
