Difference between revisions of "CPD-7105"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13937 CPD-13937] == * smiles: ** CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(...")
 
 
(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-13937 CPD-13937] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7105 CPD-7105] ==
 
* smiles:
 
* smiles:
** CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%13(OC(CO)C(O)C(O)C(OC%12(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%11(OC(CO)C(O)C(O)C(O)%11))))%12))%13))))O)
+
** CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(CC(C)C)=O)O))C
 +
* molecular weight:
 +
** 345.458   
 
* inchi key:
 
* inchi key:
** InChIKey=WQOBEIJLPIXUTJ-RTIPJVFBSA-N
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** InChIKey=NQYBQBZOHCACCR-UHFFFAOYSA-M
 
* common name:
 
* common name:
** Glc2Man9GlcNAc2
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** diprenylphlorisovalerophenone
* molecular weight:
+
** 2207.966   
+
 
* Synonym(s):
 
* Synonym(s):
 +
** deoxyhumulone
  
 
== 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 ==
* [[3.2.1.106-RXN]]
+
* [[RXN-7810]]
 
== 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=90657567 90657567]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203000 25203000]
{{#set: smiles=CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%13(OC(CO)C(O)C(O)C(OC%12(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%11(OC(CO)C(O)C(O)C(O)%11))))%12))%13))))O)}}
+
{{#set: smiles=CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(CC(C)C)=O)O))C}}
{{#set: inchi key=InChIKey=WQOBEIJLPIXUTJ-RTIPJVFBSA-N}}
+
{{#set: molecular weight=345.458    }}
{{#set: common name=Glc2Man9GlcNAc2}}
+
{{#set: inchi key=InChIKey=NQYBQBZOHCACCR-UHFFFAOYSA-M}}
{{#set: molecular weight=2207.966    }}
+
{{#set: common name=diprenylphlorisovalerophenone}}
{{#set: produced by=3.2.1.106-RXN}}
+
{{#set: common name=deoxyhumulone}}
 +
{{#set: produced by=RXN-7810}}

Latest revision as of 16:54, 9 January 2019

Metabolite CPD-7105

  • smiles:
    • CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(CC(C)C)=O)O))C
  • molecular weight:
    • 345.458
  • inchi key:
    • InChIKey=NQYBQBZOHCACCR-UHFFFAOYSA-M
  • common name:
    • diprenylphlorisovalerophenone
  • Synonym(s):
    • deoxyhumulone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(CC(C)C)=O)O))C" cannot be used as a page name in this wiki.