Dataset

Naringenin-7-O-rutinoside

This MassBank record with Accession MSBNK-RIKEN-PR306253 contains the MS2 mass spectrum of Naringenin-7-O-rutinoside with the InChIkey HXTFHSYLYXVTHC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3
SMILES CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)CC(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O
InChI Key HXTFHSYLYXVTHC-UHFFFAOYSA-N
Molecular Formula C27H32O14
Exact Mass 580.539 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-PR306253
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:40.824490
MetadataModified 2024-01-11T20:39:40.983420
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL3185240 ChEMBL
HMDB0033740 Human Metabolome Database
85704 PubChem
PD099030 ProbesDrugs
60022026 NMRShiftDB
The data in this table is sourced from UniChem at EBI.