Dataset

Apigenin-7-O-glucoside (Apigetrin)

This MassBank record with Accession MSBNK-BS-BS003713 contains the MS2 mass spectrum of Apigenin-7-O-glucoside (Apigetrin) with the InChIkey KMOUJOKENFFTPU-QNDFHXLGSA-N.

Chemical Info

InChI	InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
SMILES	C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI Key	KMOUJOKENFFTPU-QNDFHXLGSA-N
Molecular Formula	C21H20O10
Exact Mass	432.106 g/mol

Data and Resources

Apigenin-7-O-glucoside (Apigetrin)HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003713
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:33:17.234804
MetadataModified	2024-01-11T12:33:17.402800
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL146404	SureChEMBL
5280704	PubChem
60019529	NMRShiftDB
LMPK12110336	LipidMaps
15501740	PubChem: Thomson Pharma
258568	Brenda
LSM-2286	LINCS
PD002119	ProbesDrugs
7OF2S66PCH	FDA SRS
HMDB0037340	Human Metabolome Database
17641	Brenda
56648	Brenda
71571	Brenda
15631	Brenda
123324	Brenda
123664	Brenda
123663	Brenda
48191	Brenda
23205	Brenda
12768	Brenda
17642	Brenda
43632	Brenda
MTBLC16778	Metabolights
37133	Brenda
J22.571A	Nikkaji
ZINC000003983877	ZINC
MCULE-8522272831	Mcule
HY-N0578	MedChemExpress
50378582	BindingDB
C04608	KEGG Ligand
CHEMBL487017	ChEMBL
16778	ChEBI
508991	eMolecules
The data in this table is sourced from UniChem at EBI.