Difference between revisions of "CPD-1103"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13912 CPD-13912] == * smiles: ** C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O * inchi key: ** InChI...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1103 CPD-1103] == * smiles: ** C(C(C1(C=CC(=CC=1)O))OC2(OC(C(C(C2O)O)O)CO))#N * inchi key:...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1103 CPD-1103] == |
* smiles: | * smiles: | ||
| − | ** C(C(C(O)C(C( | + | ** C(C(C1(C=CC(=CC=1)O))OC2(OC(C(C(C2O)O)O)CO))#N |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N |
* common name: | * common name: | ||
| − | ** | + | ** taxiphyllin |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 311.291 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** (R)-4-hydroxymandelonitrile β-D-glucoside |
| − | ** | + | ** (2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile |
| + | ** (R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-13600]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CAS : 21401-21-8 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=107721 107721] |
| − | {{#set: smiles=C(C( | + | * HMDB : HMDB30704 |
| − | {{#set: inchi key=InChIKey= | + | * LIGAND-CPD: |
| − | {{#set: common name= | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01855 C01855] |
| − | {{#set: molecular weight= | + | * CHEMSPIDER: |
| − | {{#set: common name= | + | ** [http://www.chemspider.com/Chemical-Structure.96890.html 96890] |
| − | {{#set: | + | * CHEBI: |
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16267 16267] | ||
| + | {{#set: smiles=C(C(C1(C=CC(=CC=1)O))OC2(OC(C(C(C2O)O)O)CO))#N}} | ||
| + | {{#set: inchi key=InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N}} | ||
| + | {{#set: common name=taxiphyllin}} | ||
| + | {{#set: molecular weight=311.291 }} | ||
| + | {{#set: common name=(R)-4-hydroxymandelonitrile β-D-glucoside|(2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile|(R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile}} | ||
| + | {{#set: consumed by=RXN-13600}} | ||
Latest revision as of 20:26, 21 March 2018
Contents
Metabolite CPD-1103
- smiles:
- C(C(C1(C=CC(=CC=1)O))OC2(OC(C(C(C2O)O)O)CO))#N
- inchi key:
- InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N
- common name:
- taxiphyllin
- molecular weight:
- 311.291
- Synonym(s):
- (R)-4-hydroxymandelonitrile β-D-glucoside
- (2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
- (R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
