Dataset

Hispidulin

This MassBank record with Accession MSBNK-BS-BS003613 contains the MS2 mass spectrum of Hispidulin with the InChIkey IHFBPDAQLQOCBX-UHFFFAOYSA-N.

InChI	InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
SMILES	C(OC1=C(C2=C(C(=C1O[H])[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])O[H])([H])([H])[H]
InChI Key	IHFBPDAQLQOCBX-UHFFFAOYSA-N
Molecular Formula	C16H12O6
Exact Mass	300.063 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003613
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:34:52.569882
MetadataModified	2024-01-11T12:34:52.731976
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
50049395	BindingDB
DTXSID30162786	EPA CompTox Dashboard
HY-N1950	MedChemExpress
MCULE-3882973229	Mcule
ZINC000005732241	ZINC
LMPK12111159	LipidMaps
HUL	PDBe
MTBLC75902	Metabolights
N7F61604C2	FDA SRS
77992	Brenda
18893	Brenda
5281628	PubChem
CB6723941	ChemicalBook
DB14008	DrugBank
60020310	NMRShiftDB
15097428	PubChem: Thomson Pharma
1447-88-7	ACToR
SCHEMBL514926	SureChEMBL
PD070854	ProbesDrugs
J12.270J	Nikkaji
75902	ChEBI
CHEMBL293776	ChEMBL
C10058	KEGG Ligand
737101	eMolecules
The data in this table is sourced from UniChem at EBI.