Difference between revisions of "SCOPOLETIN"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14704 CPD-14704] == * smiles: ** CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] == * smiles: ** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) * common name: ** scopol...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] == |
* smiles: | * smiles: | ||
| − | ** | + | ** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** scopoletin |
| + | * inchi key: | ||
| + | ** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 192.171 |
* Synonym(s): | * Synonym(s): | ||
== 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- | + | * [[RXN-14179]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460] |
| − | {{#set: smiles= | + | * NCI: |
| − | {{#set: | + | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647] |
| − | {{#set: | + | * HMDB : HMDB34344 |
| − | {{#set: molecular weight= | + | * LIGAND-CPD: |
| − | {{#set: produced by=RXN- | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488] | ||
| + | * METABOLIGHTS : MTBLC17488 | ||
| + | {{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}} | ||
| + | {{#set: common name=scopoletin}} | ||
| + | {{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}} | ||
| + | {{#set: molecular weight=192.171 }} | ||
| + | {{#set: produced by=RXN-14179}} | ||
Latest revision as of 19:58, 21 March 2018
Contents
Metabolite SCOPOLETIN
- smiles:
- COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
- common name:
- scopoletin
- inchi key:
- InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
- molecular weight:
- 192.171
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- NCI:
- HMDB : HMDB34344
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC17488
