Difference between revisions of "Manual"

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(Created page with "Category:metabolite == Metabolite COUMARALDEHYDE == * smiles: ** c(=o)c=cc1(c=cc(o)=cc=1) * common-name: ** 4-coumaraldehyde * inchi-key: ** cjxmvkynvigqbs-owojbtedsa-n *...")
(Created page with "Category:metabolite == Metabolite CPD-7414 == * smiles: ** cc(=cc=cc=c(c)c=cc=c(c)c=cc1(c(c)(c)ccc=c(c)1))c=cc=c(c)c=cc2(c(c)=cccc(c)(c)2) * common-name: ** ε-caro...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite COUMARALDEHYDE ==
+
== Metabolite CPD-7414 ==
 
* smiles:
 
* smiles:
** c(=o)c=cc1(c=cc(o)=cc=1)
+
** cc(=cc=cc=c(c)c=cc=c(c)c=cc1(c(c)(c)ccc=c(c)1))c=cc=c(c)c=cc2(c(c)=cccc(c)(c)2)
 
* common-name:
 
* common-name:
** 4-coumaraldehyde
+
** ε-carotene
 
* inchi-key:
 
* inchi-key:
** cjxmvkynvigqbs-owojbtedsa-n
+
** qabfxomooywzlz-gdbzimipsa-n
 
* molecular-weight:
 
* molecular-weight:
** 148.161
+
** 536.882
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1102]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1101]]
+
* [[RXN-8028]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-coumaraldehyde}}
+
{{#set: common-name=ε-carotene}}
{{#set: inchi-key=inchikey=cjxmvkynvigqbs-owojbtedsa-n}}
+
{{#set: inchi-key=inchikey=qabfxomooywzlz-gdbzimipsa-n}}
{{#set: molecular-weight=148.161}}
+
{{#set: molecular-weight=536.882}}

Revision as of 20:27, 17 March 2021

Metabolite CPD-7414

  • smiles:
    • cc(=cc=cc=c(c)c=cc=c(c)c=cc1(c(c)(c)ccc=c(c)1))c=cc=c(c)c=cc2(c(c)=cccc(c)(c)2)
  • common-name:
    • ε-carotene
  • inchi-key:
    • qabfxomooywzlz-gdbzimipsa-n
  • molecular-weight:
    • 536.882

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality