Difference between revisions of "3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN 3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN] == * smiles: ** CC(C...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C
 
** CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C
−
* common name:
 
−
** phlorisovalerophenone
 
−
* inchi key:
 
−
** InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N
 
 
* molecular weight:
 
* molecular weight:
 
** 210.229     
 
** 210.229     
 +
* inchi key:
 +
** InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N
 +
* common name:
 +
** phlorisovalerophenone
 
* Synonym(s):
 
* Synonym(s):
 
** 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
 
** 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Line 18: Line 18:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15951 15951]
 
* PUBCHEM:
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=441269 441269]
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=441269 441269]
−
* CHEMSPIDER:
 
−
** [http://www.chemspider.com/Chemical-Structure.390036.html 390036]
 
 
* HMDB : HMDB33798
 
* HMDB : HMDB33798
−
* CHEBI:
 
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15951 15951]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C07350 C07350]
 
** [http://www.genome.jp/dbget-bin/www_bget?C07350 C07350]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.390036.html 390036]
 
{{#set: smiles=CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C}}
 
{{#set: smiles=CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C}}
−
{{#set: common name=phlorisovalerophenone}}
 
−
{{#set: inchi key=InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N}}
 
 
{{#set: molecular weight=210.229    }}
 
{{#set: molecular weight=210.229    }}
 +
{{#set: inchi key=InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N}}
 +
{{#set: common name=phlorisovalerophenone}}
 
{{#set: common name=3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one|PIVP}}
 
{{#set: common name=3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one|PIVP}}
 
{{#set: consumed by=RXN-7811}}
 
{{#set: consumed by=RXN-7811}}

Latest revision as of 12:44, 10 January 2019

Metabolite 3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN

  • smiles:
    • CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C
  • molecular weight:
    • 210.229
  • inchi key:
    • InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N
  • common name:
    • phlorisovalerophenone
  • Synonym(s):
    • 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
    • PIVP

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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