Dataset

Griseofulvin

This MassBank record with Accession MSBNK-AAFC-AC000509 contains the MS2 mass spectrum of Griseofulvin with the InChIkey DDUHZTYCFQRHIY-RBHXEPJQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
SMILES C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
InChI Key DDUHZTYCFQRHIY-RBHXEPJQSA-N
Molecular Formula C17H17ClO6
Exact Mass 352.071 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-AAFC-AC000509
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:59.638731
MetadataModified 2024-01-11T09:22:59.808315
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0014544 Human Metabolome Database
CB1766075 ChemicalBook
griseofulvin DailyMed
MTBLC27779 Metabolights
LMPK13060001 LipidMaps
1331 DrugCentral
ZINC000000622123 ZINC
GRISFL CCDC
31775 BindingDB
GRISEOFULVIN DailyMed
GRIS-PEG rxnorm
GRIFULVIN V rxnorm
GRISEOFULVIN MICROSIZE rxnorm
GRISEOFULVIN, ULTRAMICROCRYSTALLINE rxnorm
GRISEOFULVIN rxnorm
GRISEOFULVIN, ULTRAMICROCRYSTALLINE clinicaltrials
GRIS-PEG clinicaltrials
GRISEOFULVIN clinicaltrials
GRISEOFULVIN, MICROCRYSTALLINE clinicaltrials
GRISEOFULVIN, MICROSIZE clinicaltrials
HY-17583 MedChemExpress
DTXSID8020674 EPA CompTox Dashboard
PA449814 PharmGKB
griseofulvin Selleck
126-07-8 ACToR
LSM-5259 LINCS
32HRV3E3D5 FDA SRS
griseofulvin Atlas
PD002235 ProbesDrugs
60027500 NMRShiftDB
14778634 PubChem: Thomson Pharma
15026839 PubChem: Thomson Pharma
441140 PubChem
J4.418K Nikkaji
MCULE-1983595404 Mcule
SCHEMBL21988 SureChEMBL
MCULE-8909987576 Mcule
DB00400 DrugBank
C06686 KEGG Ligand
CHEMBL562 ChEMBL
27779 ChEBI
SAM002589940 NIH Clinical Collection
25718239 eMolecules
511191 eMolecules
6876977 eMolecules
The data in this table is sourced from UniChem at EBI.