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

molecular Image
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

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
RZF1QN1Z8R FDA SRS
75790 ChEBI
J94.495E Nikkaji
HMDB0303599 Human Metabolome Database
MCULE-6800328214 Mcule
HY-N0627 MedChemExpress
34844 Brenda
MTBLC75790 Metabolights
ZINC000031155604 ZINC
CB0259026 ChemicalBook
226180 BindingDB
The data in this table is sourced from UniChem at EBI.