Dataset

isosakuranetin-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN-PR305748 contains the MS2 mass spectrum of isosakuranetin-7-O-neohesperidoside with the InChIkey NLAWPKPYBMEWIR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3
SMILES COC1=CC=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 NLAWPKPYBMEWIR-UHFFFAOYSA-N
Molecular Formula C28H34O14
Exact Mass 594.566 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-PR305748
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:43.309761
MetadataModified 2024-01-11T20:43:43.479962
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70127310 NMRShiftDB
PD088116 ProbesDrugs
HMDB0037487 Human Metabolome Database
4463283 PubChem
The data in this table is sourced from UniChem at EBI.