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))) * inc...") |
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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: | ||
+ | ** 354.313 | ||
* inchi key: | * inchi key: | ||
** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N | ** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N | ||
* common name: | * common name: | ||
** scopolin | ** scopolin | ||
− | |||
− | |||
* Synonym(s): | * Synonym(s): | ||
Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
− | * | + | * METABOLIGHTS : MTBLC16065 |
− | + | ||
* CAS : 531-44-2 | * CAS : 531-44-2 | ||
− | |||
− | |||
− | |||
− | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.307225.html 307225] | ** [http://www.chemspider.com/Chemical-Structure.307225.html 307225] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065] | ||
− | * | + | * LIGAND-CPD: |
+ | ** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527] | ||
+ | * PUBCHEM: | ||
+ | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514] | ||
+ | * NCI: | ||
+ | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560] | ||
{{#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: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}} | {{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}} | ||
{{#set: common name=scopolin}} | {{#set: common name=scopolin}} | ||
− | |||
{{#set: consumed by=RXN-14179}} | {{#set: consumed by=RXN-14179}} |
Latest revision as of 17:25, 9 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
- METABOLIGHTS : MTBLC16065
- CAS : 531-44-2
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
- NCI: