Dataset

Griseofulvin

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

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

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
MTBLC27779	Metabolights
CB1766075	ChemicalBook
griseofulvin	DailyMed
511191	eMolecules
6876977	eMolecules
14778634	PubChem: Thomson Pharma
25718239	eMolecules
60027500	NMRShiftDB
PD002235	ProbesDrugs
32HRV3E3D5	FDA SRS
15026839	PubChem: Thomson Pharma
LSM-5259	LINCS
126-07-8	ACToR
PA449814	PharmGKB
griseofulvin	Selleck
griseofulvin	Atlas
SCHEMBL21988	SureChEMBL
MCULE-8909987576	Mcule
MCULE-1983595404	Mcule
441140	PubChem
DB00400	DrugBank
C06686	KEGG Ligand
CHEMBL562	ChEMBL
27779	ChEBI
SAM002589940	NIH Clinical Collection
DTXSID8020674	EPA CompTox Dashboard
1331	DrugCentral
LMPK13060001	LipidMaps
ZINC000000622123	ZINC
GRISFL	CCDC
GRISEOFULVIN	DailyMed
J4.418K	Nikkaji
GRIFULVIN V	rxnorm
GRISEOFULVIN, ULTRAMICROCRYSTALLINE	clinicaltrials
HY-17583	MedChemExpress
GRISEOFULVIN, MICROSIZE	clinicaltrials
GRISEOFULVIN, MICROCRYSTALLINE	clinicaltrials
GRISEOFULVIN	clinicaltrials
GRIS-PEG	clinicaltrials
GRISEOFULVIN MICROSIZE	rxnorm
GRISEOFULVIN	rxnorm
GRIS-PEG	rxnorm
GRISEOFULVIN, ULTRAMICROCRYSTALLINE	rxnorm
31775	BindingDB
The data in this table is sourced from UniChem at EBI.