Dataset

Withanone

This MassBank record with Accession MSBNK-RIKEN-PR310388 contains the MS2 mass spectrum of Withanone with the InChIkey FAZIYUIDUNHZRG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3
SMILES CC(C1CC(C)=C(C)C(=O)O1)C1(O)CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C
InChI Key FAZIYUIDUNHZRG-UHFFFAOYSA-N
Molecular Formula C28H38O6
Exact Mass 470.606 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-PR310388
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:05:46.931064
MetadataModified 2025-02-09T18:30:59.963520
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
182889 ChEBI
301757 PubChem
27570-38-3 ACToR
PD150472 ProbesDrugs
The data in this table is sourced from UniChem at EBI.