Difference between revisions of "VANILLYL MANDELATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLYL_MANDELATE VANILLYL_MANDELATE] == * smiles: ** COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-]) * inch...") |
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| − | [[Category: | + | [[Category:Metabolite]] |
| − | == | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLYL_MANDELATE VANILLYL_MANDELATE] == |
| − | * | + | * smiles: |
| − | ** [ | + | ** COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-]) |
| + | * inchi key: | ||
| + | ** InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M | ||
* common name: | * common name: | ||
| − | ** | + | ** vanillyl mandelate |
| + | * molecular weight: | ||
| + | ** 197.167 | ||
* Synonym(s): | * Synonym(s): | ||
| + | ** 4-hydroxy-3-methoxymandelate | ||
| + | ** vanillylmandelic acid | ||
| + | ** 3-methoxy-4-hydroxymandelate | ||
| − | == Reaction(s) | + | == Reaction(s) known to consume the compound == |
| − | + | == Reaction(s) known to produce the compound == | |
| − | + | * [[RXN-10917]] | |
| − | == Reaction(s) | + | == Reaction(s) of unknown directionality == |
| − | * [ | + | |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
== External links == | == External links == | ||
| − | {{#set: | + | * CAS : 55-10-7 |
| − | {{#set: common name= | + | * PUBCHEM: |
| − | {{#set: | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6931438 6931438] |
| − | {{#set: | + | * HMDB : HMDB00291 |
| − | {{#set: | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05584 C05584] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.19951553.html 19951553] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27622 27622] | ||
| + | * METABOLIGHTS : MTBLC27622 | ||
| + | {{#set: smiles=COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])}} | ||
| + | {{#set: inchi key=InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M}} | ||
| + | {{#set: common name=vanillyl mandelate}} | ||
| + | {{#set: molecular weight=197.167 }} | ||
| + | {{#set: common name=4-hydroxy-3-methoxymandelate|vanillylmandelic acid|3-methoxy-4-hydroxymandelate}} | ||
| + | {{#set: produced by=RXN-10917}} | ||
Revision as of 16:09, 23 May 2018
Contents
Metabolite VANILLYL_MANDELATE
- smiles:
- COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])
- inchi key:
- InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M
- common name:
- vanillyl mandelate
- molecular weight:
- 197.167
- Synonym(s):
- 4-hydroxy-3-methoxymandelate
- vanillylmandelic acid
- 3-methoxy-4-hydroxymandelate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 55-10-7
- PUBCHEM:
- HMDB : HMDB00291
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC27622
"COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])" cannot be used as a page name in this wiki.
