CHEBI:220098 - Phomonitroester

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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 Phomonitroester
ChEBI ID CHEBI:220098
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H13NO5
Net Charge 0
Average Mass 239.227
Monoisotopic Mass 239.07937
InChI InChI=1S/C11H13NO5/c13-10-3-1-9(2-4-10)6-8-17-11(14)5-7-12(15)16/h1-4,13H,5-8H2
InChIKey RFTGOLDMAQHAKU-UHFFFAOYSA-N
SMILES O=[N+]([O-])CCC(=O)OCCC1=CC=C(O)C=C1
Metabolite of Species Details
Phomopsis (NCBI:txid34399) See: PubMed
ChEBI Ontology
Outgoing Phomonitroester (CHEBI:220098) is a alcohol (CHEBI:30879)
Phomonitroester (CHEBI:220098) is a phenols (CHEBI:33853)
IUPAC Name
2-(4-hydroxyphenyl)ethyl 3-nitropropanoate
Manual Xref Database
58828678 ChemSpider
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