Difference between revisions of "CPD-12724"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=34-DIHYDROXYPHENYLACETALDEHYDE 34-DIHYDROXYPHENYLACETALDEHYDE] == * smiles: ** C1(=CC(=C(O)C=C1...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12724 CPD-12724] == * smiles: ** C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3))) * inc...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=34-DIHYDROXYPHENYLACETALDEHYDE 34-DIHYDROXYPHENYLACETALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12724 CPD-12724] ==
 
* smiles:
 
* smiles:
** C1(=CC(=C(O)C=C1C[CH]=O)O)
+
** C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))
 
* inchi key:
 
* inchi key:
** InChIKey=IADQVXRMSNIUEL-UHFFFAOYSA-N
+
** InChIKey=FXNFHKRTJBSTCS-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 3,4-dihydroxyphenylacetaldehyde
+
** baicalein
 
* molecular weight:
 
* molecular weight:
** 152.149    
+
** 270.241    
 
* Synonym(s):
 
* Synonym(s):
** protocatechuatealdehyde
+
** 5,6,7-trihydroxyflavone
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-14240]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN6666-4]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* BIGG : 43022
+
* LIPID_MAPS : LMPK12111095
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119219 119219]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5281605 5281605]
* HMDB : HMDB03791
+
* HMDB : HMDB31991
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C04043 C04043]
+
** [http://www.genome.jp/dbget-bin/www_bget?C10023 C10023]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.106504.html 106504]
+
** [http://www.chemspider.com/Chemical-Structure.4444924.html 4444924]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27978 27978]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2979 2979]
* METABOLIGHTS : MTBLC27978
+
* METABOLIGHTS : MTBLC2979
{{#set: smiles=C1(=CC(=C(O)C=C1C[CH]=O)O)}}
+
{{#set: smiles=C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))}}
{{#set: inchi key=InChIKey=IADQVXRMSNIUEL-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=FXNFHKRTJBSTCS-UHFFFAOYSA-N}}
{{#set: common name=3,4-dihydroxyphenylacetaldehyde}}
+
{{#set: common name=baicalein}}
{{#set: molecular weight=152.149   }}
+
{{#set: molecular weight=270.241   }}
{{#set: common name=protocatechuatealdehyde}}
+
{{#set: common name=5,6,7-trihydroxyflavone}}
{{#set: produced by=RXN6666-4}}
+
{{#set: consumed by=RXN-14240}}

Latest revision as of 20:40, 21 March 2018

Metabolite CPD-12724

  • smiles:
    • C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))
  • inchi key:
    • InChIKey=FXNFHKRTJBSTCS-UHFFFAOYSA-N
  • common name:
    • baicalein
  • molecular weight:
    • 270.241
  • Synonym(s):
    • 5,6,7-trihydroxyflavone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMPK12111095
  • PUBCHEM:
  • HMDB : HMDB31991
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC2979