Difference between revisions of "SCOPOLIN"
From metabolic_network
| (One intermediate revision by the same user not shown) | |||
| Line 1: | Line 1: | ||
| − | [[Category: | + | [[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))) |
| + | * molecular weight: | ||
| + | ** 354.313 | ||
| + | * inchi key: | ||
| + | ** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N | ||
* common name: | * common name: | ||
| − | ** | + | ** scopolin |
* Synonym(s): | * Synonym(s): | ||
| − | == Reaction(s) | + | == Reaction(s) known to consume the compound == |
| − | + | * [[RXN-14179]] | |
| − | * [[ | + | == Reaction(s) known to produce the compound == |
| − | == Reaction(s) | + | == Reaction(s) of unknown directionality == |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
== External links == | == External links == | ||
| − | {{#set: | + | * METABOLIGHTS : MTBLC16065 |
| − | {{#set: | + | * CAS : 531-44-2 |
| − | {{#set: | + | * CHEMSPIDER: |
| − | {{#set: | + | ** [http://www.chemspider.com/Chemical-Structure.307225.html 307225] |
| − | {{#set: | + | * CHEBI: |
| + | ** [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: molecular weight=354.313 }} | ||
| + | {{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}} | ||
| + | {{#set: common name=scopolin}} | ||
| + | {{#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:
