Difference between revisions of "ACETALD"

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(Created page with "Category:metabolite == Metabolite CPD-14604 == * common-name: ** mycophenolic acid phenolic glucuronide * smiles: ** cc(ccc([o-])=o)=ccc2(=c(c(c)=c3(coc(=o)c(=c(oc1(c(o)c(...")
(Created page with "Category:metabolite == Metabolite CPD-11495 == * common-name: ** (2-hydroxyphenyl)acetate * smiles: ** c(=o)([o-])cc1(=c(o)c=cc=c1) * inchi-key: ** ccvyrrgzdbshfu-uhfffaoy...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14604 ==
+
== Metabolite CPD-11495 ==
 
* common-name:
 
* common-name:
** mycophenolic acid phenolic glucuronide
+
** (2-hydroxyphenyl)acetate
 
* smiles:
 
* smiles:
** cc(ccc([o-])=o)=ccc2(=c(c(c)=c3(coc(=o)c(=c(oc1(c(o)c(c(o)c(c([o-])=o)o1)o))2)3))oc)
+
** c(=o)([o-])cc1(=c(o)c=cc=c1)
 
* inchi-key:
 
* inchi-key:
** byfgtsayqqiucn-hgihdbqlsa-l
+
** ccvyrrgzdbshfu-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 494.451
+
** 151.141
 
== 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-13608]]
+
* [[RXN-10815]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=mycophenolic acid phenolic glucuronide}}
+
{{#set: common-name=(2-hydroxyphenyl)acetate}}
{{#set: inchi-key=inchikey=byfgtsayqqiucn-hgihdbqlsa-l}}
+
{{#set: inchi-key=inchikey=ccvyrrgzdbshfu-uhfffaoysa-m}}
{{#set: molecular-weight=494.451}}
+
{{#set: molecular-weight=151.141}}

Revision as of 15:27, 5 January 2021

Metabolite CPD-11495

  • common-name:
    • (2-hydroxyphenyl)acetate
  • smiles:
    • c(=o)([o-])cc1(=c(o)c=cc=c1)
  • inchi-key:
    • ccvyrrgzdbshfu-uhfffaoysa-m
  • molecular-weight:
    • 151.141

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality