Difference between revisions of "SCOPOLIN"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] == * smiles: ** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) * com...") |
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* smiles: | * smiles: | ||
** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) | ** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 354.313 | ** 354.313 | ||
| + | * inchi key: | ||
| + | ** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N | ||
| + | * common name: | ||
| + | ** scopolin | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
* NCI: | * NCI: | ||
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560] | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560] | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.307225.html 307225] | ** [http://www.chemspider.com/Chemical-Structure.307225.html 307225] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065] | ||
| + | * CAS : 531-44-2 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527] | ||
* METABOLIGHTS : MTBLC16065 | * METABOLIGHTS : MTBLC16065 | ||
{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}} | {{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=354.313 }} | {{#set: molecular weight=354.313 }} | ||
| + | {{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}} | ||
| + | {{#set: common name=scopolin}} | ||
{{#set: consumed by=RXN-14179}} | {{#set: consumed by=RXN-14179}} | ||
Latest revision as of 12:41, 10 January 2019
Contents
Metabolite SCOPOLIN
- smiles:
- COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
- molecular weight:
- 354.313
- inchi key:
- InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
- common name:
- scopolin
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- NCI:
- CHEMSPIDER:
- PUBCHEM:
- CHEBI:
- CAS : 531-44-2
- LIGAND-CPD:
- METABOLIGHTS : MTBLC16065
