Dataset

Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS041410 contains the MS2 mass spectrum of Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside with the InChIkey RPMNUQRUHXIGHK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3
SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChI Key	RPMNUQRUHXIGHK-UHFFFAOYSA-N
Molecular Formula	C27H30O14
Exact Mass	578.523 g/mol

Data and Resources

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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-PS041410
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:08:04.790542
MetadataModified	2025-02-09T19:14:53.642820
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL118912	SureChEMBL
70020063	NMRShiftDB
PD056203	ProbesDrugs
HMDB0038848	Human Metabolome Database
5459217	PubChem
The data in this table is sourced from UniChem at EBI.