Difference between revisions of "CPD-13174"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13174 CPD-13174] == * smiles: ** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O * inchi key: *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O | ** C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O | ||
| + | * molecular weight: | ||
| + | ** 262.262 | ||
* inchi key: | * inchi key: | ||
** InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N | ** InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** salicyl-6-hydroxy-2-cyclohexene-on-oyl | ** salicyl-6-hydroxy-2-cyclohexene-on-oyl | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** salicyl-HCH | ** salicyl-HCH | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14731723 14731723] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14731723 14731723] | ||
| + | * CAS : 529507-98-0 | ||
{{#set: smiles=C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O}} | {{#set: smiles=C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O}} | ||
| + | {{#set: molecular weight=262.262 }} | ||
{{#set: inchi key=InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N}} | ||
{{#set: common name=salicyl-6-hydroxy-2-cyclohexene-on-oyl}} | {{#set: common name=salicyl-6-hydroxy-2-cyclohexene-on-oyl}} | ||
| − | |||
{{#set: common name=salicyl-HCH|2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester|acylsaligenin}} | {{#set: common name=salicyl-HCH|2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester|acylsaligenin}} | ||
{{#set: consumed by=RXN-12252}} | {{#set: consumed by=RXN-12252}} | ||
Latest revision as of 18:00, 9 January 2019
Contents
Metabolite CPD-13174
- smiles:
- C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O
- molecular weight:
- 262.262
- inchi key:
- InChIKey=WYYMYYOXCOEMCU-UHFFFAOYSA-N
- common name:
- salicyl-6-hydroxy-2-cyclohexene-on-oyl
- Synonym(s):
- salicyl-HCH
- 2-cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-hydroxyphenyl)methyl ester
- acylsaligenin
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- CAS : 529507-98-0
