Dataset

Flavanone base + 3O, 1Prenyl

This MassBank record with Accession MSBNK-RIKEN-PR310765 contains the MS2 mass spectrum of Flavanone base + 3O, 1Prenyl with the InChIkey CGKWSLSAYABZTL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3
SMILES O=C2C3=C(O)C=C(O)C=C3(OC(C1=CC=C(O)C(=C1)CC=C(C)C)C2)
InChI Key CGKWSLSAYABZTL-UHFFFAOYSA-N
Molecular Formula C20H20O5
Exact Mass 340.375 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310765
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:51:11.435243
MetadataModified 2025-02-09T18:28:02.135472
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
85241386 PubChem: Thomson Pharma
SCHEMBL3364539 SureChEMBL
60062228 NMRShiftDB
14218027 PubChem
26937234 eMolecules
172810 Brenda
HMDB0029866 Human Metabolome Database
MCULE-9485581712 Mcule
LMPK12140288 LipidMaps
50251004 BindingDB
174568 ChEBI
CHEMBL457680 ChEMBL
The data in this table is sourced from UniChem at EBI.