Difference between revisions of "SCOPOLETIN"
From metabolic_network
(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)) * inchi key: ** InChIKey...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) | ** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) | ||
| + | * molecular weight: | ||
| + | ** 192.171 | ||
* inchi key: | * inchi key: | ||
** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N | ** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** scopoletin | ** scopoletin | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC17488 |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752] | ** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752] | ||
| + | * HMDB : HMDB34344 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113] | ** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488] | ||
| − | * | + | * PUBCHEM: |
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460] | ||
| + | * NCI: | ||
| + | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647] | ||
{{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}} | {{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}} | ||
| + | {{#set: molecular weight=192.171 }} | ||
{{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}} | ||
{{#set: common name=scopoletin}} | {{#set: common name=scopoletin}} | ||
| − | |||
{{#set: produced by=RXN-14179}} | {{#set: produced by=RXN-14179}} | ||
Latest revision as of 17:07, 9 January 2019
Contents
Metabolite SCOPOLETIN
- smiles:
- COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
- molecular weight:
- 192.171
- inchi key:
- InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
- common name:
- scopoletin
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC17488
- LIGAND-CPD:
- HMDB : HMDB34344
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
- NCI:
