CHEBI:190121 - Negletein

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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 Negletein
ChEBI ID CHEBI:190121
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H12O5
Net Charge 0
Average Mass 284.267
Monoisotopic Mass 284.06847
InChI InChI=1S/C16H12O5/c1-20-13-8-12-14(16(19)15(13)18)10(17)7-11(21-12)9-5-3-2-4-6-9/h2-8,18-19H,1H3
InChIKey ZTHLHHDJRXJGRX-UHFFFAOYSA-N
SMILES O1C=2C(=C(O)C(O)=C(OC)C2)C(=O)C=C1C3=CC=CC=C3
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing Negletein (CHEBI:190121) is a ether (CHEBI:25698)
Negletein (CHEBI:190121) is a flavonoids (CHEBI:72544)
IUPAC Name
5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one
Manual Xrefs Databases
414288 ChemSpider
HMDB0134889 HMDB
LMPK12111097 LIPID MAPS
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Registry Number Type Source
29550-13-8 CAS Registry Number ChemIDplus