CHEBI:199463 - Etrogol acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Etrogol acetate
ChEBI ID CHEBI:199463
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O3
Net Charge 0
Average Mass 248.322
Monoisotopic Mass 248.14124
InChI InChI=1S/C15H20O3/c1-12(2)8-10-18-15-6-4-14(5-7-15)9-11-17-13(3)16/h4-8H,9-11H2,1-3H3
InChIKey FBZRYCBQRHKYRY-UHFFFAOYSA-N
SMILES O=C(OCCC1=CC=C(OCC=C(C)C)C=C1)C
Metabolite of Species Details
Pithomycesspecies (NCBI:txid2032998) See: PubMed
ChEBI Ontology
Outgoing Etrogol acetate (CHEBI:199463) is a alcohol (CHEBI:30879)
Etrogol acetate (CHEBI:199463) is a phenols (CHEBI:33853)
IUPAC Name
2-[4-(3-methylbut-2-enoxy)phenyl]ethyl acetate
Manual Xref Database
9981676 ChemSpider
View more database links