Difference between revisions of "3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN 3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN] == * smiles: ** CC(C...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C | ** CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C | ||
| + | * molecular weight: | ||
| + | ** 210.229 | ||
* inchi key: | * inchi key: | ||
** InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N | ** InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** phlorisovalerophenone | ** phlorisovalerophenone | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one | ** 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15951 15951] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15951 15951] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=441269 441269] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C07350 C07350] | ** [http://www.genome.jp/dbget-bin/www_bget?C07350 C07350] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.390036.html 390036] | ||
* HMDB : HMDB33798 | * HMDB : HMDB33798 | ||
{{#set: smiles=CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C}} | {{#set: smiles=CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C}} | ||
| + | {{#set: molecular weight=210.229 }} | ||
{{#set: inchi key=InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N}} | ||
{{#set: common name=phlorisovalerophenone}} | {{#set: common name=phlorisovalerophenone}} | ||
| − | |||
{{#set: common name=3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one|PIVP}} | {{#set: common name=3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one|PIVP}} | ||
{{#set: consumed by=RXN-7811}} | {{#set: consumed by=RXN-7811}} | ||
Latest revision as of 16:27, 9 January 2019
Contents
Metabolite 3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN
- smiles:
- CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C
- molecular weight:
- 210.229
- inchi key:
- InChIKey=VSDWHZGJGWMIRN-UHFFFAOYSA-N
- common name:
- phlorisovalerophenone
- Synonym(s):
- 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
- PIVP
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
