Dataset

Phloridzin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81938 contains the MS mass spectrum of Phloridzin 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 436.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81938
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:02.798597
MetadataModified 2024-01-11T22:25:02.960679
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000003875408 ZINC
DTXSID3075339 EPA CompTox Dashboard
229773 Brenda
229772 Brenda
PHLORHIZIN rxnorm
HY-N0143 MedChemExpress
20875 BindingDB
4757 Guide to Pharmacology
J4.807K Nikkaji
CEWWAC CCDC
CHEMBL245067 ChEMBL
8113 ChEBI
C01604 KEGG Ligand
87550962 PubChem: Drugs of the Future
LSM-25654 LINCS
DB16771 DrugBank
PD002007 ProbesDrugs
LN9 PDBe
LMPK12120517 LipidMaps
14832537 PubChem: Thomson Pharma
112318-65-7 ACToR
6072 PubChem
60021296 NMRShiftDB
CU9S17279X FDA SRS
SCHEMBL17290 SureChEMBL
MCULE-5327734531 Mcule
Phlorizin(Phloridzin) Selleck
7269 Brenda
8113 Rhea
1563 Brenda
HMDB0036634 Human Metabolome Database
111914 Brenda
163558 Brenda
CB0331801 ChemicalBook
MTBLC8113 Metabolights
1935951 eMolecules
The data in this table is sourced from UniChem at EBI.