Dataset

Karanjin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81522 contains the MS mass spectrum of Karanjin with the InChIkey LKPQNZRGGNOPPU-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3
SMILES	COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4
InChI Key	LKPQNZRGGNOPPU-UHFFFAOYSA-N
Molecular Formula	C18H12O4
Exact Mass	292.074 g/mol

Data and Resources

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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-BML81522
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:25:18.464360
MetadataModified	2024-01-11T22:25:18.610791
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL208484	ChEMBL
744166	eMolecules
ZINC000000039119	ZINC
LMPK12111542	LipidMaps
MCULE-6473864283	Mcule
HY-N2534	MedChemExpress
166631	ChEBI
DTXSID20200106	EPA CompTox Dashboard
CB4134736	ChemicalBook
138791	Brenda
60027051	NMRShiftDB
521-88-0	ACToR
PD158715	ProbesDrugs
J6.616H	Nikkaji
100633	PubChem
WV7IM0I02M	FDA SRS
SCHEMBL247164	SureChEMBL
SEMVAH	CCDC
HMDB0253763	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.