Dataset

Kaempferol-7-O-glucoside

This MassBank record with Accession MSBNK-BS-BS003841 contains the MS2 mass spectrum of Kaempferol-7-O-glucoside with the InChIkey YPWHZCPMOQGCDQ-HMGRVEAOSA-N.

Chemical Info

InChI	InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1
SMILES	C1=CC(=CC=C1C2=C(C(=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)O
InChI Key	YPWHZCPMOQGCDQ-HMGRVEAOSA-N
Molecular Formula	C21H20O11
Exact Mass	448.101 g/mol

Data and Resources

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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-BS003841
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:37:12.660144
MetadataModified	2025-02-09T08:54:21.562769
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL469441	ChEMBL
MCULE-6800328214	Mcule
HY-N0627	MedChemExpress
HMDB0303599	Human Metabolome Database
J94.495E	Nikkaji
10095180	PubChem
60021810	NMRShiftDB
15082529	PubChem: Thomson Pharma
SCHEMBL3462759	SureChEMBL
PD150940	ProbesDrugs
35875953	eMolecules
12800964	eMolecules
CB0259026	ChemicalBook
226180	BindingDB
ZINC000031155604	ZINC
MTBLC75790	Metabolights
34844	Brenda
RZF1QN1Z8R	FDA SRS
75790	ChEBI
The data in this table is sourced from UniChem at EBI.