Dataset

isookanin-7-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR306044 contains the MS2 mass spectrum of isookanin-7-O-glucoside with the InChIkey DGGOLFCPSUVVHX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2
SMILES OCC1OC(OC2=C(O)C3=C(C=C2)C(=O)CC(O3)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key DGGOLFCPSUVVHX-UHFFFAOYSA-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-PR306044
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:28:30.863040
MetadataModified 2025-02-09T18:29:17.450969
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD158164 ProbesDrugs
179855 ChEBI
LMPK12140092 LipidMaps
MCULE-5380878506 Mcule
29910052 eMolecules
12309901 PubChem
The data in this table is sourced from UniChem at EBI.