Mol:FL1CA9NF0003
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2496 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2496 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2496 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2496 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5351 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5351 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8207 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8207 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8207 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8207 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5351 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5351 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1062 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1062 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1062 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1062 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6083 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6083 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3227 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3227 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0372 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0372 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7517 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7517 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4661 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4661 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4661 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4661 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7517 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7517 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0372 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0372 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5351 -2.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5351 -2.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1527 0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1527 0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2242 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2242 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7067 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7067 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5272 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5272 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8627 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8627 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8257 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8257 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4709 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4709 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4661 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4661 1.8028 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 |
| − | 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 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 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NF0003 | + | ID FL1CA9NF0003 |
| − | KNApSAcK_ID C00014443 | + | KNApSAcK_ID C00014443 |
| − | NAME Crassichalcone;5''-Isopropenyl-4'',5''-dihydrofurano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone | + | NAME Crassichalcone;5''-Isopropenyl-4'',5''-dihydrofurano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone |
| − | CAS_RN 260437-87-4 | + | CAS_RN 260437-87-4 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(O1)c(c2O)CC1C(C)=C | + | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(O1)c(c2O)CC1C(C)=C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2496 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2496 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5351 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8207 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8207 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5351 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1062 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1062 -2.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6083 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3227 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0372 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7517 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4661 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4661 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7517 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0372 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5351 -2.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1527 0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2242 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7067 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5272 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8627 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8257 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4709 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4661 1.8028 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
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
3 17 1 0 0 0 0
5 18 1 0 0 0 0
17 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
S SKP 8
ID FL1CA9NF0003
KNApSAcK_ID C00014443
NAME Crassichalcone;5''-Isopropenyl-4'',5''-dihydrofurano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone
CAS_RN 260437-87-4
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(O1)c(c2O)CC1C(C)=C
M END
