Difference between revisions of "CONIFERYL-ALDEHYDE"
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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-548 CPD-548] == * smiles: ** C(C(NC(CCC([N+])C([O-])=O)=O)C(=O)NCC([O-])=O)SC=O * inchi key...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALDEHYDE CONIFERYL-ALDEHYDE] == * smiles: ** COC1(=CC(C=CC=O)=CC=C(O)1) * inchi key:...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALDEHYDE CONIFERYL-ALDEHYDE] == |
* smiles: | * smiles: | ||
| − | ** | + | ** COC1(=CC(C=CC=O)=CC=C(O)1) |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=DKZBBWMURDFHNE-NSCUHMNNSA-N |
* common name: | * common name: | ||
| − | ** | + | ** coniferaldehyde |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 178.187 |
* Synonym(s): | * Synonym(s): | ||
| + | ** 4-hydroxy-3-methoxycinnamaldehyde | ||
| + | ** 4-hydroxy-3-methoxycinnamic aldehyde | ||
| + | ** coniferyl aldehyde | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[RXN- | + | * [[RXN-1106]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| − | * | + | * CAS : 458-36-6 |
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280536 5280536] |
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C02666 C02666] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.4444167.html 4444167] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16547 16547] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC16547 |
| − | {{#set: smiles= | + | {{#set: smiles=COC1(=CC(C=CC=O)=CC=C(O)1)}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=DKZBBWMURDFHNE-NSCUHMNNSA-N}} |
| − | {{#set: common name= | + | {{#set: common name=coniferaldehyde}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=178.187 }} |
| − | {{#set: | + | {{#set: common name=4-hydroxy-3-methoxycinnamaldehyde|4-hydroxy-3-methoxycinnamic aldehyde|coniferyl aldehyde}} |
| − | {{#set: produced by=RXN- | + | {{#set: produced by=RXN-1106}} |
| − | + | ||
Latest revision as of 20:09, 21 March 2018
Contents
Metabolite CONIFERYL-ALDEHYDE
- smiles:
- COC1(=CC(C=CC=O)=CC=C(O)1)
- inchi key:
- InChIKey=DKZBBWMURDFHNE-NSCUHMNNSA-N
- common name:
- coniferaldehyde
- molecular weight:
- 178.187
- Synonym(s):
- 4-hydroxy-3-methoxycinnamaldehyde
- 4-hydroxy-3-methoxycinnamic aldehyde
- coniferyl aldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 458-36-6
- PUBCHEM:
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC16547
