Mol:FL1D3CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7086 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7086 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3784 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3784 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3784 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3784 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7086 1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7086 1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0388 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0388 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0388 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0388 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3908 -0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3908 -0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1913 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1913 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8741 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8741 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5674 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5674 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5674 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5674 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2750 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2750 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9826 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9826 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9826 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9826 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2750 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2750 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5653 1.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5653 1.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2750 -1.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2750 -1.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8741 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8741 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9826 1.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9826 1.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6971 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6971 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6971 -0.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6971 -0.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6854 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6854 0.1168 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 |
| − | 6 7 1 0 0 0 0 | + | 6 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 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 |
| − | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -3.6971 -0.0359 | + | M SVB 2 22 -3.6971 -0.0359 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 2.9826 1.0078 | + | M SVB 1 20 2.9826 1.0078 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D3CNS0001 | + | ID FL1D3CNS0001 |
| − | KNApSAcK_ID C00008125 | + | KNApSAcK_ID C00008125 |
| − | NAME 2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone;Lusianin | + | NAME 2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone;Lusianin |
| − | CAS_RN 168180-11-8 | + | CAS_RN 168180-11-8 |
| − | FORMULA C17H18O5 | + | FORMULA C17H18O5 |
| − | EXACTMASS 302.115423686 | + | EXACTMASS 302.115423686 |
| − | AVERAGEMASS 302.32182 | + | AVERAGEMASS 302.32182 |
| − | SMILES COc(c2)ccc(c2)CCC(=O)c(c1)c(O)c(OC)c(O)c1 | + | SMILES COc(c2)ccc(c2)CCC(=O)c(c1)c(O)c(OC)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
1.7086 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3784 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3784 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7086 1.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0388 0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0388 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3908 -0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1913 -0.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8741 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5674 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5674 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2750 1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9826 0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9826 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2750 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5653 1.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2750 -1.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8741 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9826 1.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6971 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6971 -0.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6854 0.1168 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
6 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 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
13 16 1 0 0 0 0
15 17 1 0 0 0 0
9 18 2 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -3.6971 -0.0359
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 2.9826 1.0078
S SKP 8
ID FL1D3CNS0001
KNApSAcK_ID C00008125
NAME 2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone;Lusianin
CAS_RN 168180-11-8
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c2)ccc(c2)CCC(=O)c(c1)c(O)c(OC)c(O)c1
M END
