Dataset

Apigenin-7-O-glucoside (Apigetrin)

This MassBank record with Accession MSBNK-BS-BS003714 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-BS003714
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:04.959506
MetadataModified	2024-01-11T12:35:05.114631
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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