Dataset

Kaempferol-7-O-glucoside

This MassBank record with Accession MSBNK-BS-BS003842 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-BS003842
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:34:52.184824
MetadataModified	2024-01-11T12:34:52.356020
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL469441	ChEMBL
35875953	eMolecules
12800964	eMolecules
10095180	PubChem
60021810	NMRShiftDB
15082529	PubChem: Thomson Pharma
SCHEMBL3462759	SureChEMBL
PD150940	ProbesDrugs
CB0259026	ChemicalBook
226180	BindingDB
34844	Brenda
MTBLC75790	Metabolights
MolPort-005-945-833	MolPort
75790	ChEBI
RZF1QN1Z8R	FDA SRS
J94.495E	Nikkaji
HMDB0303599	Human Metabolome Database
ZINC000031155604	ZINC
MCULE-6800328214	Mcule
HY-N0627	MedChemExpress
The data in this table is sourced from UniChem at EBI.