Difference between revisions of "CPD-6702"
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(Created page with "Category:metabolite == Metabolite O-ACETYLCARNITINE == * common-name: ** o-acetyl-l-carnitine * smiles: ** cc(=o)oc(cc(=o)[o-])c[n+](c)(c)c * inchi-key: ** rdhqfkqigngied-...") |
(Created page with "Category:metabolite == Metabolite VANILLYL_MANDELATE == * common-name: ** vanillyl mandelate * smiles: ** coc1(c(o)=cc=c(c=1)c(o)c(=o)[o-]) * inchi-key: ** cgqcwmiaepehnq-...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite VANILLYL_MANDELATE == |
* common-name: | * common-name: | ||
| − | ** | + | ** vanillyl mandelate |
* smiles: | * smiles: | ||
| − | ** cc(=o) | + | ** coc1(c(o)=cc=c(c=1)c(o)c(=o)[o-]) |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** cgqcwmiaepehnq-mrvpvssysa-m |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 197.167 |
== 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-10917]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=vanillyl mandelate}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=cgqcwmiaepehnq-mrvpvssysa-m}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=197.167}} |
Revision as of 08:25, 15 March 2021
Contents
Metabolite VANILLYL_MANDELATE
- common-name:
- vanillyl mandelate
- smiles:
- coc1(c(o)=cc=c(c=1)c(o)c(=o)[o-])
- inchi-key:
- cgqcwmiaepehnq-mrvpvssysa-m
- molecular-weight:
- 197.167
