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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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-]) | ** COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-]) | ||
| + | * molecular weight: | ||
| + | ** 197.167 | ||
* inchi key: | * inchi key: | ||
** InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M | ** InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M | ||
* common name: | * common name: | ||
** vanillyl mandelate | ** vanillyl mandelate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 4-hydroxy-3-methoxymandelate | ** 4-hydroxy-3-methoxymandelate | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC27622 | ||
* CAS : 55-10-7 | * CAS : 55-10-7 | ||
| − | |||
| − | |||
* HMDB : HMDB00291 | * HMDB : HMDB00291 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.19951553.html 19951553] | ** [http://www.chemspider.com/Chemical-Structure.19951553.html 19951553] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27622 27622] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27622 27622] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05584 C05584] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6931438 6931438] | ||
{{#set: smiles=COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])}} | {{#set: smiles=COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])}} | ||
| + | {{#set: molecular weight=197.167 }} | ||
{{#set: inchi key=InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M}} | {{#set: inchi key=InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M}} | ||
{{#set: common name=vanillyl mandelate}} | {{#set: common name=vanillyl mandelate}} | ||
| − | |||
{{#set: common name=4-hydroxy-3-methoxymandelate|vanillylmandelic acid|3-methoxy-4-hydroxymandelate}} | {{#set: common name=4-hydroxy-3-methoxymandelate|vanillylmandelic acid|3-methoxy-4-hydroxymandelate}} | ||
{{#set: produced by=RXN-10917}} | {{#set: produced by=RXN-10917}} | ||
Latest revision as of 15:34, 9 January 2019
Contents
Metabolite VANILLYL_MANDELATE
- smiles:
- COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])
- molecular weight:
- 197.167
- inchi key:
- InChIKey=CGQCWMIAEPEHNQ-MRVPVSSYSA-M
- common name:
- vanillyl mandelate
- 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
- METABOLIGHTS : MTBLC27622
- CAS : 55-10-7
- HMDB : HMDB00291
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])" cannot be used as a page name in this wiki.
