Mol:FL1CRTNM0001
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 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5101 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5101 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3975 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3975 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9538 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9538 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2849 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2849 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2712 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2712 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 -0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 -0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9493 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9493 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8273 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8273 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8412 -1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8412 -1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3883 -1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3883 -1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9491 1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9491 1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4700 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4700 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0301 1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0301 1.6467 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 21 2 0 0 0 0 | + | 17 21 2 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 0.47 0.7807 | + | M SVB 1 24 0.47 0.7807 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CRTNM0001 | + | ID FL1CRTNM0001 |
| − | KNApSAcK_ID C00007037 | + | KNApSAcK_ID C00007037 |
| − | NAME 3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone | + | NAME 3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone |
| − | CAS_RN 130278-10-3 | + | CAS_RN 130278-10-3 |
| − | FORMULA C18H16O5 | + | FORMULA C18H16O5 |
| − | EXACTMASS 312.099773622 | + | EXACTMASS 312.099773622 |
| − | AVERAGEMASS 312.31664 | + | AVERAGEMASS 312.31664 |
| − | SMILES c(c2O)(c(c(c(c2C=O)OC)C=CC(=O)c(c1)cccc1)O)C | + | SMILES c(c2O)(c(c(c(c2C=O)OC)C=CC(=O)c(c1)cccc1)O)C |
M END | M END | ||
| − | |||
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 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5101 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3975 0.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2849 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2712 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 -0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 -0.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9493 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 -1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9491 1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4700 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0301 1.6467 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
14 17 1 0 0 0 0
13 18 1 0 0 0 0
12 19 1 0 0 0 0
11 20 1 0 0 0 0
22 23 1 0 0 0 0
17 21 2 0 0 0 0
15 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 0.47 0.7807
S SKP 8
ID FL1CRTNM0001
KNApSAcK_ID C00007037
NAME 3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone
CAS_RN 130278-10-3
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(c2O)(c(c(c(c2C=O)OC)C=CC(=O)c(c1)cccc1)O)C
M END
