Difference between revisions of "CPD-289"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9758 CPD-9758] == * smiles: ** CC(=CCCC(=CCOC(C)=O)C)C * inchi key: ** InChIKey=HIGQPQRQIQD...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-289 CPD-289] == * smiles: ** C1(=CC(C(C=C1)O)O) * common name: ** (1R,2R)-cyclohexa-3,5-die...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9758 CPD-9758] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-289 CPD-289] ==
 
* smiles:
 
* smiles:
** CC(=CCCC(=CCOC(C)=O)C)C
+
** C1(=CC(C(C=C1)O)O)
* inchi key:
+
** InChIKey=HIGQPQRQIQDZMP-DHZHZOJOSA-N
+
 
* common name:
 
* common name:
** geranyl acetate
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** (1R,2R)-cyclohexa-3,5-diene-1,2-diol
 +
* inchi key:
 +
** InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N
 
* molecular weight:
 
* molecular weight:
** 196.289    
+
** 112.128    
 
* Synonym(s):
 
* Synonym(s):
** geraniol acetate
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** trans-1,2-dihydrobenzene-1,2-diol
** neryl acetate
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** geranyl acetate, cis-
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9192]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[1.3.1.20-RXN]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549026 1549026]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=149186 149186]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.1266019.html 1266019]
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** [http://www.chemspider.com/Chemical-Structure.131491.html 131491]
 +
* HMDB : HMDB01164
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=5331 5331]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=10702 10702]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C09861 C09861]
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** [http://www.genome.jp/dbget-bin/www_bget?C04221 C04221]
* HMDB : HMDB35157
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{{#set: smiles=C1(=CC(C(C=C1)O)O)}}
{{#set: smiles=CC(=CCCC(=CCOC(C)=O)C)C}}
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{{#set: common name=(1R,2R)-cyclohexa-3,5-diene-1,2-diol}}
{{#set: inchi key=InChIKey=HIGQPQRQIQDZMP-DHZHZOJOSA-N}}
+
{{#set: inchi key=InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N}}
{{#set: common name=geranyl acetate}}
+
{{#set: molecular weight=112.128   }}
{{#set: molecular weight=196.289   }}
+
{{#set: common name=trans-1,2-dihydrobenzene-1,2-diol}}
{{#set: common name=geraniol acetate|neryl acetate|geranyl acetate, cis-}}
+
{{#set: reversible reaction associated=1.3.1.20-RXN}}
{{#set: produced by=RXN-9192}}
+

Latest revision as of 20:47, 21 March 2018

Metabolite CPD-289

  • smiles:
    • C1(=CC(C(C=C1)O)O)
  • common name:
    • (1R,2R)-cyclohexa-3,5-diene-1,2-diol
  • inchi key:
    • InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N
  • molecular weight:
    • 112.128
  • Synonym(s):
    • trans-1,2-dihydrobenzene-1,2-diol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links