Dataset

Diosmetin-7-O-rutinoside

This MassBank record with Accession MSBNK-RIKEN-PR306224 contains the MS2 mass spectrum of Diosmetin-7-O-rutinoside with the InChIkey GZSOSUNBTXMUFQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3
SMILES COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1
InChI Key GZSOSUNBTXMUFQ-UHFFFAOYSA-N
Molecular Formula C28H32O15
Exact Mass 608.549 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-PR306224
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:25.252286
MetadataModified 2024-01-11T20:41:25.454821
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
537251 eMolecules
CHEMBL1707291 ChEMBL
HMDB0029548 Human Metabolome Database
176381 ChEBI
MCULE-3131534165 Mcule
60026071 NMRShiftDB
PD055518 ProbesDrugs
SCHEMBL14178901 SureChEMBL
5353588 PubChem
The data in this table is sourced from UniChem at EBI.