Dataset

isorhamnetin-3-O-galactoside-6''-rhamnoside

This MassBank record with Accession MSBNK-RIKEN-PR306966 contains the MS2 mass spectrum of isorhamnetin-3-O-galactoside-6''-rhamnoside with the InChIkey UIDGLYUNOUKLBM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3
SMILES COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Key UIDGLYUNOUKLBM-UHFFFAOYSA-N
Molecular Formula C28H32O16
Exact Mass 624.548 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-PR306966
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:15.021019
MetadataModified 2025-02-09T18:03:10.068712
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139417 ChEBI
HMDB0037746 Human Metabolome Database
6223069 PubChem
60024537 NMRShiftDB
PD117813 ProbesDrugs
The data in this table is sourced from UniChem at EBI.