Mol:FL1C1ANF0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8167 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8167 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8167 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8167 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1022 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1022 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3877 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3877 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3877 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3877 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1022 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1022 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5311 -1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5311 -1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1022 1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1022 1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6733 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6733 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6733 1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6733 1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0412 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0412 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7557 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7557 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4702 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4702 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4702 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4702 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1846 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1846 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8991 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8991 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8991 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8991 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1846 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1846 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6837 -1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6837 -1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1686 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1686 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6837 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6837 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5353 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5353 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1925 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1925 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9408 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9408 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9408 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9408 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6200 0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6200 0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0065 0.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0065 0.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9275 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9275 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4057 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4057 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3051 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3051 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6200 -0.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6200 -0.4229 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 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 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 21 27 1 1 0 0 0 | + | 21 27 1 1 0 0 0 |
| − | 20 28 1 6 0 0 0 | + | 20 28 1 6 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANF0005 | + | ID FL1C1ANF0005 |
| − | KNApSAcK_ID C00014458 | + | KNApSAcK_ID C00014458 |
| − | NAME Paratocarpin G;3'-Prenyl-5''-(2-hydroxyisopropyl)-4''-hydroxy-4'',5''-dihydrofurano[2'',3'':4,3]-2',4'-dihydroxychalcone | + | NAME Paratocarpin G;3'-Prenyl-5''-(2-hydroxyisopropyl)-4''-hydroxy-4'',5''-dihydrofurano[2'',3'':4,3]-2',4'-dihydroxychalcone |
| − | CAS_RN 170662-21-2 | + | CAS_RN 170662-21-2 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES C(O)(C(C(C)(C)O)3)c(c(O3)1)cc(C=CC(=O)c(c(O)2)ccc(O)c(CC=C(C)C)2)cc1 | + | SMILES C(O)(C(C(C)(C)O)3)c(c(O3)1)cc(C=CC(=O)c(c(O)2)ccc(O)c(CC=C(C)C)2)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.8167 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8167 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1022 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1022 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5311 -1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1022 1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6733 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6733 1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0412 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7557 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4702 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4702 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8991 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8991 -0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6837 -1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1686 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6837 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5353 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1925 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9408 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9408 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6200 0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0065 0.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9275 -0.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4057 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3051 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6200 -0.4229 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
2 7 1 0 0 0 0
6 8 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 17 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
21 27 1 1 0 0 0
20 28 1 6 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL1C1ANF0005
KNApSAcK_ID C00014458
NAME Paratocarpin G;3'-Prenyl-5''-(2-hydroxyisopropyl)-4''-hydroxy-4'',5''-dihydrofurano[2'',3'':4,3]-2',4'-dihydroxychalcone
CAS_RN 170662-21-2
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES C(O)(C(C(C)(C)O)3)c(c(O3)1)cc(C=CC(=O)c(c(O)2)ccc(O)c(CC=C(C)C)2)cc1
M END
