Dataset

Enoxolone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81163 contains the MS mass spectrum of Enoxolone with the InChIkey MPDGHEJMBKOTSU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)
SMILES CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
InChI Key MPDGHEJMBKOTSU-UHFFFAOYSA-N
Molecular Formula C30H46O4
Exact Mass 470.340 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-BML81163
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:25.348683
MetadataModified 2024-01-11T22:27:25.536366
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1986714 eMolecules
CHEMBL1863561 ChEMBL
HMDB0244828 Human Metabolome Database
MCULE-3741444667 Mcule
3230 PubChem
PD055157 ProbesDrugs
SCHEMBL25465 SureChEMBL
1449-05-4 ACToR
471-53-4 ACToR
ZZZLLW CCDC
The data in this table is sourced from UniChem at EBI.