Dataset

Achillin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80681 contains the MS mass spectrum of Achillin with the InChIkey BJPSSVHNEGMBDQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3
SMILES CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C
InChI Key BJPSSVHNEGMBDQ-UHFFFAOYSA-N
Molecular Formula C15H18O3
Exact Mass 246.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80681
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:05.167323
MetadataModified 2024-01-11T22:26:05.328821
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
291264 PubChem
60080087 NMRShiftDB
SCHEMBL14029298 SureChEMBL
5956-04-7 ACToR
PD029274 ProbesDrugs
MCULE-5162812783 Mcule
CHEMBL1322934 ChEMBL
1078343 eMolecules
The data in this table is sourced from UniChem at EBI.