Difference between revisions of "CPDQT-27"

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(Created page with "Category:metabolite == Metabolite PHYTOL == * common-name: ** phytol * smiles: ** cc(c)cccc(c)cccc(c)cccc(c)=cco * inchi-key: ** botwfxyspfmfnr-pyddkjgssa-n * molecular-we...")
(Created page with "Category:metabolite == Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD == * common-name: ** pelargonidin-3-o-β-d-glucoside * smiles: ** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite PHYTOL ==
+
== Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD ==
 
* common-name:
 
* common-name:
** phytol
+
** pelargonidin-3-o-β-d-glucoside
 
* smiles:
 
* smiles:
** cc(c)cccc(c)cccc(c)cccc(c)=cco
+
** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
 
* inchi-key:
 
* inchi-key:
** botwfxyspfmfnr-pyddkjgssa-n
+
** abvcubuixwjyse-gqupqbgvsa-m
 
* molecular-weight:
 
* molecular-weight:
** 296.535
+
** 431.375
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7683]]
+
* [[RXN-7828]]
* [[RXN66-478]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=phytol}}
+
{{#set: common-name=pelargonidin-3-o-β-d-glucoside}}
{{#set: inchi-key=inchikey=botwfxyspfmfnr-pyddkjgssa-n}}
+
{{#set: inchi-key=inchikey=abvcubuixwjyse-gqupqbgvsa-m}}
{{#set: molecular-weight=296.535}}
+
{{#set: molecular-weight=431.375}}

Revision as of 15:25, 5 January 2021

Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD

  • common-name:
    • pelargonidin-3-o-β-d-glucoside
  • smiles:
    • c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
  • inchi-key:
    • abvcubuixwjyse-gqupqbgvsa-m
  • molecular-weight:
    • 431.375

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality