Dataset

Eriodictyol-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN-PR306126 contains the MS2 mass spectrum of Eriodictyol-7-O-neohesperidoside with the InChIkey OBKKEZLIABHSGY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3
SMILES CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key OBKKEZLIABHSGY-UHFFFAOYSA-N
Molecular Formula C27H32O15
Exact Mass 596.538 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-PR306126
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:49:51.053603
MetadataModified 2025-02-09T18:31:50.659108
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD119966 ProbesDrugs
4278576 PubChem
60022027 NMRShiftDB
HMDB0255521 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.