Dataset

Phlorizin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS086405 contains the MS2 mass spectrum of Phlorizin with the InChIkey IOUVKUPGCMBWBT-QNDFHXLGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI Key IOUVKUPGCMBWBT-QNDFHXLGSA-N
Molecular Formula C21H24O10
Exact Mass 436.413 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS086405
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:01.708210
MetadataModified 2024-01-11T21:07:01.855315
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14832537 PubChem: Thomson Pharma
6072 PubChem
60021296 NMRShiftDB
LMPK12120517 LipidMaps
112318-65-7 ACToR
PD002007 ProbesDrugs
DB16771 DrugBank
CU9S17279X FDA SRS
LSM-25654 LINCS
LN9 PDBe
1935951 eMolecules
MTBLC8113 Metabolights
7269 Brenda
ZINC000003875408 ZINC
CB0331801 ChemicalBook
1563 Brenda
111914 Brenda
HMDB0036634 Human Metabolome Database
163558 Brenda
8113 Rhea
SCHEMBL17290 SureChEMBL
MCULE-5327734531 Mcule
CHEMBL245067 ChEMBL
8113 ChEBI
C01604 KEGG Ligand
87550962 PubChem: Drugs of the Future
229772 Brenda
229773 Brenda
PHLORHIZIN rxnorm
HY-N0143 MedChemExpress
20875 BindingDB
DTXSID3075339 EPA CompTox Dashboard
4757 Guide to Pharmacology
J4.807K Nikkaji
CEWWAC CCDC
Phlorizin(Phloridzin) Selleck
The data in this table is sourced from UniChem at EBI.