Dataset

Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS093508 contains the MS2 mass spectrum of Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside with the InChIkey OXGUCUVFOIWWQJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3
SMILES	CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI Key	OXGUCUVFOIWWQJ-UHFFFAOYSA-N
Molecular Formula	C21H20O11
Exact Mass	448.380 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-PS093508
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:41.744588
MetadataModified	2024-01-11T21:07:41.896190
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0257017	Human Metabolome Database
513036	BindingDB
PD056299	ProbesDrugs
60022316	NMRShiftDB
522-12-3	ACToR
5353915	PubChem
SCHEMBL147093	SureChEMBL
The data in this table is sourced from UniChem at EBI.