Difference between revisions of "Benzenediols"

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(Created page with "Category:metabolite == Metabolite CPD-16016 == * common-name: ** lanosteryl oleate * smiles: ** ccccccccc=ccccccccc(=o)oc4(ccc1(c)([ch](ccc2(=c1ccc3(c)([ch](c(ccc=c(c)c)c)...")
(Created page with "Category:metabolite == Metabolite PREGNENOLONE == * common-name: ** pregnenolone * smiles: ** cc(=o)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34)))) * inchi-key: **...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-16016 ==
+
== Metabolite PREGNENOLONE ==
 
* common-name:
 
* common-name:
** lanosteryl oleate
+
** pregnenolone
 
* smiles:
 
* smiles:
** ccccccccc=ccccccccc(=o)oc4(ccc1(c)([ch](ccc2(=c1ccc3(c)([ch](c(ccc=c(c)c)c)ccc(c)23)))c(c)(c)4))
+
** cc(=o)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 
* inchi-key:
 
* inchi-key:
** dkyfeowqccnwlb-gyzzqdeesa-n
+
** ornbqbciokfoeo-qgvnflhtsa-n
 
* molecular-weight:
 
* molecular-weight:
** 691.175
+
** 316.483
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-15133]]
+
* [[RXN66-353]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN66-353]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=lanosteryl oleate}}
+
{{#set: common-name=pregnenolone}}
{{#set: inchi-key=inchikey=dkyfeowqccnwlb-gyzzqdeesa-n}}
+
{{#set: inchi-key=inchikey=ornbqbciokfoeo-qgvnflhtsa-n}}
{{#set: molecular-weight=691.175}}
+
{{#set: molecular-weight=316.483}}

Revision as of 18:56, 14 January 2021

Metabolite PREGNENOLONE

  • common-name:
    • pregnenolone
  • smiles:
    • cc(=o)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
  • inchi-key:
    • ornbqbciokfoeo-qgvnflhtsa-n
  • molecular-weight:
    • 316.483

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality