Difference between revisions of "CPD-15364"

Revision as of 18:53, 14 January 2021

common-name:
- solasodine 3-o-β-d-glucoside
smiles:
- cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c7(c(c)5ccc(oc6(oc(co)c(o)c(o)c(o)6))c7))))))
inchi-key:
- xmlljghzphtukk-kjnrmupvsa-n
molecular-weight:
- 575.784

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-15361 ==
+== Metabolite CPD-13081 ==
 * common-name:
-** 3r-hydroxy-(11z)-eicos-11-enoyl-coa
+** solasodine 3-o-&beta;-d-glucoside
 * smiles:
-** ccccccccc=ccccccccc(o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c7(c(c)5ccc(oc6(oc(co)c(o)c(o)c(o)6))c7))))))
 * inchi-key:
-** preomqknjxwclz-zhlmiuqrsa-j
+** xmlljghzphtukk-kjnrmupvsa-n
 * molecular-weight:
-** 1072.006
+** 575.784
 == Reaction(s) known to consume the compound ==
-* [[RXN-14485]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-14484]]
+* [[RXN-12123]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=3r-hydroxy-(11z)-eicos-11-enoyl-coa}}
+{{#set: common-name=solasodine 3-o-&beta;-d-glucoside}}
-{{#set: inchi-key=inchikey=preomqknjxwclz-zhlmiuqrsa-j}}
+{{#set: inchi-key=inchikey=xmlljghzphtukk-kjnrmupvsa-n}}
-{{#set: molecular-weight=1072.006}}
+{{#set: molecular-weight=575.784}}