Dataset

Hesperetin-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN-PR306438 contains the MS2 mass spectrum of Hesperetin-7-O-neohesperidoside with the InChIkey ARGKVCXINMKCAZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3
SMILES COC1=C(O)C=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1
InChI Key ARGKVCXINMKCAZ-UHFFFAOYSA-N
Molecular Formula C28H34O15
Exact Mass 610.565 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-PR306438
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:14.306085
MetadataModified 2024-01-11T20:39:14.501156
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
232990 PubChem
CHEMBL4297019 ChEMBL
MCULE-4437868251 Mcule
SCHEMBL13991134 SureChEMBL
13241-33-3 ACToR
PD045478 ProbesDrugs
60015854 NMRShiftDB
192003 ChEBI
31661249 eMolecules
HMDB0030748 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.