Dataset

Okanin-4'-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR302422 contains the MS2 mass spectrum of Okanin-4'-O-glucoside with the InChIkey XGEYXJDOVMEJNG-HTFDPZBKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1
SMILES OC[C@H]1O[C@@H](OC2=C(O)C(O)=C(C=C2)C(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key XGEYXJDOVMEJNG-HTFDPZBKSA-N
Molecular Formula C21H22O11
Exact Mass 450.396 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-RIKEN-PR302422
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:06.506309
MetadataModified 2024-01-11T20:41:06.673946
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB4330620 ChemicalBook
J3.585.377D Nikkaji
227778 Brenda
ZINC000013827660 ZINC
HY-N7676 MedChemExpress
50250286 BindingDB
6441269 PubChem
60047220 NMRShiftDB
15256549 PubChem: Thomson Pharma
179868 ChEBI
535-96-6 ACToR
PD151249 ProbesDrugs
SCHEMBL620953 SureChEMBL
J107.415F Nikkaji
CHEMBL490510 ChEMBL
The data in this table is sourced from UniChem at EBI.