Dataset

Erid-7-Glc, Miscanthoside, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT204180 contains the MS2 mass spectrum of Erid-7-Glc, Miscanthoside, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychroman-4-one, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside with the InChIkey RAFHNDRXYHOLSH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2
SMILES C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
InChI Key RAFHNDRXYHOLSH-UHFFFAOYSA-N
Molecular Formula C21H22O11
Exact Mass 450.396 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT204180
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:08:05.606500
MetadataModified 2024-01-11T21:08:05.781063
MetadataPublished 2008-07-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0029544 Human Metabolome Database
13254471 PubChem
60024666 NMRShiftDB
PD166012 ProbesDrugs
The data in this table is sourced from UniChem at EBI.