Difference between revisions of "CPD-7087"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-674 CPD-674] == * smiles: ** C(=O)([O-])C=CC1(=CC=CC=C1) * inchi key: ** InChIKey=WBYWAXJHA...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7087 CPD-7087] == * smiles: ** C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O) *...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-674 CPD-674] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7087 CPD-7087] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])C=CC1(=CC=CC=C1)
+
** C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)
 
* inchi key:
 
* inchi key:
** InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-M
+
** InChIKey=KJXSIXMJHKAJOD-LSDHHAIUSA-M
 
* common name:
 
* common name:
** trans-cinnamate
+
** (+)-dihydromyricetin
 
* molecular weight:
 
* molecular weight:
** 147.153    
+
** 319.247    
 
* Synonym(s):
 
* Synonym(s):
** β-phenylacrylic acid
+
** (+)-ampelopsin
** 3-phenyl-2-propenoic acid
+
** cinnamic acid
+
** cinnamate
+
** trans-cinnamic acid
+
** (E)-cinnamate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-2001]]
+
* [[RXN-8450]]
 +
* [[RXN-7784]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-7922]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 140-10-3
 
* BIGG : 34938
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5957728 5957728]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244375 25244375]
* HMDB : HMDB00930
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C00423 C00423]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.4762929.html 4762929]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15669 15669]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28429 28429]
* METABOLIGHTS : MTBLC15669
+
* METABOLIGHTS : MTBLC28429
{{#set: smiles=C(=O)([O-])C=CC1(=CC=CC=C1)}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02906 C02906]
{{#set: common name=trans-cinnamate}}
+
{{#set: smiles=C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)}}
{{#set: molecular weight=147.153   }}
+
{{#set: inchi key=InChIKey=KJXSIXMJHKAJOD-LSDHHAIUSA-M}}
{{#set: common name=β-phenylacrylic acid|3-phenyl-2-propenoic acid|cinnamic acid|cinnamate|trans-cinnamic acid|(E)-cinnamate}}
+
{{#set: common name=(+)-dihydromyricetin}}
{{#set: consumed by=RXN-2001}}
+
{{#set: molecular weight=319.247   }}
 +
{{#set: common name=(+)-ampelopsin}}
 +
{{#set: consumed by=RXN-8450|RXN-7784}}
 +
{{#set: produced by=RXN-7922}}

Latest revision as of 20:05, 21 March 2018

Metabolite CPD-7087

  • smiles:
    • C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)
  • inchi key:
    • InChIKey=KJXSIXMJHKAJOD-LSDHHAIUSA-M
  • common name:
    • (+)-dihydromyricetin
  • molecular weight:
    • 319.247
  • Synonym(s):
    • (+)-ampelopsin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)" cannot be used as a page name in this wiki.