Difference between revisions of "12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-294 CPD-294] == * smiles: ** C(=CC(=O)[O-])C(=O)CC([O-])=O * inchi key: ** InChIKey=SOXXPQL...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE] == * smiles: ** CO...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-294 CPD-294] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE] ==
 
* smiles:
 
* smiles:
−
** C(=CC(=O)[O-])C(=O)CC([O-])=O
+
** COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)
−
* inchi key:
+
−
** InChIKey=SOXXPQLIZIPMIZ-UPHRSURJSA-L
+
 
* common name:
 
* common name:
−
** 2-maleylacetate
+
** 4,4'-dihydroxy-3,3'-dimethoxystilbene
 +
* inchi key:
 +
** InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N
 
* molecular weight:
 
* molecular weight:
−
** 156.095    
+
** 272.3    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-oxohex-2-enedioate
+
** 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene
−
** maleylacetate
+
** 3,3'-dimethoxystilbene-4,4'-diol
−
** (2Z)-4-oxohex-2-enedioate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-9868]]
 
−
* [[CARBOXYMETHYLENEBUTENOLIDASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-9922]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543165 9543165]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280698 5280698]
 +
* HMDB : HMDB32847
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C04547 C04547]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.7822138.html 7822138]
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** [http://www.chemspider.com/Chemical-Structure.4444284.html 4444284]
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* UM-BBD-CPD : c0099
+
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16468 16468]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17501 17501]
−
* LIGAND-CPD:
+
* METABOLIGHTS : MTBLC17501
−
** [http://www.genome.jp/dbget-bin/www_bget?C02222 C02222]
+
{{#set: smiles=COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)}}
−
{{#set: smiles=C(=CC(=O)[O-])C(=O)CC([O-])=O}}
+
{{#set: common name=4,4'-dihydroxy-3,3'-dimethoxystilbene}}
−
{{#set: inchi key=InChIKey=SOXXPQLIZIPMIZ-UPHRSURJSA-L}}
+
{{#set: inchi key=InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N}}
−
{{#set: common name=2-maleylacetate}}
+
{{#set: molecular weight=272.3   }}
−
{{#set: molecular weight=156.095   }}
+
{{#set: common name=1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene|3,3'-dimethoxystilbene-4,4'-diol}}
−
{{#set: common name=4-oxohex-2-enedioate|maleylacetate|(2Z)-4-oxohex-2-enedioate}}
+
{{#set: consumed by=LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN}}
−
{{#set: produced by=RXN-9868|CARBOXYMETHYLENEBUTENOLIDASE-RXN}}
+
−
{{#set: consumed or produced by=RXN-9922}}
+

Latest revision as of 19:54, 21 March 2018

Metabolite 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE

  • smiles:
    • COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)
  • common name:
    • 4,4'-dihydroxy-3,3'-dimethoxystilbene
  • inchi key:
    • InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N
  • molecular weight:
    • 272.3
  • Synonym(s):
    • 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene
    • 3,3'-dimethoxystilbene-4,4'-diol

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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