Mol:FL1CCDNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5101 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5101 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2849 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2849 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2712 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2712 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8414 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8414 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8153 -0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8153 -0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6813 -1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6813 -1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8674 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8674 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3675 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3675 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.8674 1.1122 | + | M SVB 2 23 -2.8674 1.1122 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 2.1529 -0.3552 | + | M SVB 1 21 2.1529 -0.3552 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CCDNS0001 | + | ID FL1CCDNS0001 |
| − | KNApSAcK_ID C00006975 | + | KNApSAcK_ID C00006975 |
| − | NAME 4,2',6'-Trihydroxy-3,4'-dimethoxychalcone | + | NAME 4,2',6'-Trihydroxy-3,4'-dimethoxychalcone |
| − | CAS_RN 137225-58-2 | + | CAS_RN 137225-58-2 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c1)cc(O)c(C(=O)C=Cc(c2)cc(OC)c(O)c2)c(O)1 | + | SMILES COc(c1)cc(O)c(C(=O)C=Cc(c2)cc(OC)c(O)c2)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-2.5101 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2849 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2712 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8414 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6813 -1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3675 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
13 18 1 0 0 0 0
5 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.8674 1.1122
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.1529 -0.3552
S SKP 8
ID FL1CCDNS0001
KNApSAcK_ID C00006975
NAME 4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
CAS_RN 137225-58-2
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c1)cc(O)c(C(=O)C=Cc(c2)cc(OC)c(O)c2)c(O)1
M END
