Difference between revisions of "CPD-22095"

Latest revision as of 11:14, 18 March 2021

common-name:
- fucosterol
inchi-key:
- oselkochbmdkej-jugjngjrsa-n
molecular-weight:
- 412.698
smiles:
- cc=c(c(c)c)cc[c@@h](c)[c@@h]3(cc[c@@h]4([c@h]2(cc=c1(c[c@@h](o)cc[c@@](c)1[c@h]2cc[c@](c)34))))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-714 ==
+== Metabolite CPD-22095 ==
 * common-name:
-** cathasterone
+** fucosterol
-* smiles:
-** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc(=o)[ch]1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 * inchi-key:
-** jsvpgvhceqdjcz-vgehdtswsa-n
+** oselkochbmdkej-jugjngjrsa-n
 * molecular-weight:
-** 432.685
+** 412.698
+* smiles:
+** cc=c(c(c)c)cc[c@@h](c)[c@@h]3(cc[c@@h]4([c@h]2(cc=c1(c[c@@h](o)cc[c@@](c)1[c@h]2cc[c@](c)34))))
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-715]]
+* [[RXN-22198]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=cathasterone}}
+{{#set: common-name=fucosterol}}
-{{#set: inchi-key=inchikey=jsvpgvhceqdjcz-vgehdtswsa-n}}
+{{#set: inchi-key=inchikey=oselkochbmdkej-jugjngjrsa-n}}
-{{#set: molecular-weight=432.685}}
+{{#set: molecular-weight=412.698}}