Difference between revisions of "COUMARIN"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12365 CPD-12365] == * smiles: ** C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARIN COUMARIN] == * smiles: ** C1(OC2(=CC=CC=C(C=C1)2))=O * inchi key: ** InChIKey=ZYGHJZDH...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARIN COUMARIN] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C1(OC2(=CC=CC=C(C=C1)2))=O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
* common name: | * common name: | ||
| − | ** | + | ** coumarin |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 146.145 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** cumarin |
| − | ** | + | ** 1,2-benzopyrone |
| − | + | ||
== 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-8037]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| + | * DRUGBANK : DB04665 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=323 323] |
| + | * HMDB : HMDB01218 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05851 C05851] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.13848793.html 13848793] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28794 28794] |
| − | {{#set: smiles= | + | * METABOLIGHTS : MTBLC28794 |
| − | {{#set: inchi key=InChIKey= | + | {{#set: smiles=C1(OC2(=CC=CC=C(C=C1)2))=O}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N}} |
| − | {{#set: molecular weight= | + | {{#set: common name=coumarin}} |
| − | {{#set: common name= | + | {{#set: molecular weight=146.145 }} |
| − | {{#set: | + | {{#set: common name=cumarin|1,2-benzopyrone}} |
| + | {{#set: produced by=RXN-8037}} | ||
Latest revision as of 19:59, 21 March 2018
Contents
Metabolite COUMARIN
- smiles:
- C1(OC2(=CC=CC=C(C=C1)2))=O
- inchi key:
- InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
- common name:
- coumarin
- molecular weight:
- 146.145
- Synonym(s):
- cumarin
- 1,2-benzopyrone
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- DRUGBANK : DB04665
- PUBCHEM:
- HMDB : HMDB01218
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC28794
