Dataset

(S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS086010 contains the MS2 mass spectrum of (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man 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 CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS086010
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:40.715801
MetadataModified 2024-01-11T21:06:40.900746
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-4437868251 Mcule
SCHEMBL13991134 SureChEMBL
CHEMBL4297019 ChEMBL
232990 PubChem
13241-33-3 ACToR
PD045478 ProbesDrugs
60015854 NMRShiftDB
192003 ChEBI
HMDB0030748 Human Metabolome Database
31661249 eMolecules
The data in this table is sourced from UniChem at EBI.