Dataset

Resibufogenin

This MassBank record with Accession MSBNK-RIKEN-PR303656 contains the MS2 mass spectrum of Resibufogenin with the InChIkey ATLJNLYIJOCWJE-CWMZOUAVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@]11O[C@@H]1C[C@@H]2C1=COC(=O)C=C1
InChI Key ATLJNLYIJOCWJE-CWMZOUAVSA-N
Molecular Formula C24H32O4
Exact Mass 384.516 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-PR303656
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:36:35.167661
MetadataModified 2025-02-09T18:38:11.070729
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL250172 ChEMBL
12013885 PubChem: Drugs of the Future
J2.050H Nikkaji
3523 DrugCentral
DTXSID0046808 EPA CompTox Dashboard
31319 ChEBI
HY-N0815 MedChemExpress
LMST01130031 LipidMaps
CB6254472 ChemicalBook
ZINC000004212221 ZINC
465-39-4 ACToR
SCHEMBL309405 SureChEMBL
3K654P2M4J FDA SRS
6JI PDBe
PD072706 ProbesDrugs
70016026 NMRShiftDB
16676903 PubChem: Thomson Pharma
6917974 PubChem
29780514 eMolecules
The data in this table is sourced from UniChem at EBI.