Mol:FL1CA9NF0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2004 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2004 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2004 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2004 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7714 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7714 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7714 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7714 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0569 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0569 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0569 -1.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0569 -1.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6575 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6575 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3720 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3720 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0865 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0865 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8009 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8009 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5154 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5154 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5154 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5154 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8009 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8009 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0865 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0865 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1234 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1234 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9122 0.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9122 0.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2128 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2128 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2128 2.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2128 2.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5903 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5903 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7628 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7628 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8134 -1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8134 -1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4779 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4779 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6574 -1.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6574 -1.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7968 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7968 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5154 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5154 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4717 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4717 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1133 -2.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1133 -2.9766 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 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 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 3 1 0 0 0 0 | + | 26 3 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NF0002 | + | ID FL1CA9NF0002 |
| − | KNApSAcK_ID C00014442 | + | KNApSAcK_ID C00014442 |
| − | NAME Cedrediprenone;2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone | + | NAME Cedrediprenone;2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone |
| − | CAS_RN 554408-33-2 | + | CAS_RN 554408-33-2 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES Oc(c(CC=C(C)C)2)c(C(=O)C=Cc(c3)cccc3)c(O1)c(c2O)CC1C(C)(C)O | + | SMILES Oc(c(CC=C(C)C)2)c(C(=O)C=Cc(c3)cccc3)c(O1)c(c2O)CC1C(C)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.2004 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7714 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7714 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 -1.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3720 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5154 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5154 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0865 0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1234 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9122 0.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 2.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7628 2.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8134 -1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4779 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 -1.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7968 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5154 -2.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4717 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1133 -2.9766 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
5 17 1 0 0 0 0
1 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 3 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1CA9NF0002
KNApSAcK_ID C00014442
NAME Cedrediprenone;2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone
CAS_RN 554408-33-2
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES Oc(c(CC=C(C)C)2)c(C(=O)C=Cc(c3)cccc3)c(O1)c(c2O)CC1C(C)(C)O
M END
