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-2751 CPD-2751] == * smiles: ** C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2)) * inchi key: ** InChIKey=...")
(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...")
 
(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-2751 CPD-2751] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE] ==
 
* smiles:
 
* smiles:
−
** C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))
+
** COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)
−
* inchi key:
+
−
** InChIKey=BBNHNZGTKSWIHD-SNVBAGLBSA-N
+
 
* common name:
 
* common name:
−
** 5'-hydroxycotinine
+
** 4,4'-dihydroxy-3,3'-dimethoxystilbene
 +
* inchi key:
 +
** InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N
 
* molecular weight:
 
* molecular weight:
−
** 192.217    
+
** 272.3    
 
* Synonym(s):
 
* Synonym(s):
−
** allohydroxycotinine
+
** 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 consume the compound ==
 +
* [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-163]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9815515 9815515]
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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.7991265.html 7991265]
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** [http://www.chemspider.com/Chemical-Structure.4444284.html 4444284]
−
* HMDB : HMDB01427
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* CHEBI:
−
{{#set: smiles=C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17501 17501]
−
{{#set: inchi key=InChIKey=BBNHNZGTKSWIHD-SNVBAGLBSA-N}}
+
* METABOLIGHTS : MTBLC17501
−
{{#set: common name=5'-hydroxycotinine}}
+
{{#set: smiles=COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)}}
−
{{#set: molecular weight=192.217   }}
+
{{#set: common name=4,4'-dihydroxy-3,3'-dimethoxystilbene}}
−
{{#set: common name=allohydroxycotinine}}
+
{{#set: inchi key=InChIKey=KQPXJFAYGYIGRU-ONEGZZNKSA-N}}
−
{{#set: produced by=RXN66-163}}
+
{{#set: molecular weight=272.3   }}
 +
{{#set: common name=1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene|3,3'-dimethoxystilbene-4,4'-diol}}
 +
{{#set: consumed by=LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN}}

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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