Dataset

Gossypetin-8-C-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR301905 contains the MS2 mass spectrum of Gossypetin-8-C-glucoside with the InChIkey SJRXVLUZMMDCNG-KKPQBLLMSA-N.

Chemical Info

InChI	InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1
SMILES	OC[C@H]1O[C@@H](OC2=C(O)C=C(O)C3=C2OC(=C(O)C3=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key	SJRXVLUZMMDCNG-KKPQBLLMSA-N
Molecular Formula	C21H20O13
Exact Mass	480.378 g/mol

Data and Resources

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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-PR301905
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:31:59.419788
MetadataModified	2025-02-09T18:31:51.901528
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MTBLC5525	Metabolights
A3Q367XWX9	FDA SRS
5281621	PubChem
60028729	NMRShiftDB
R7O	PDBe
SCHEMBL1156121	SureChEMBL
PD150828	ProbesDrugs
652-78-8	ACToR
LMPK12113198	LipidMaps
6857473	eMolecules
CHEMBL402915	ChEMBL
C10051	KEGG Ligand
HY-125911	MedChemExpress
J94.552H	Nikkaji
LSM-36969	LINCS
DTXSID60215512	EPA CompTox Dashboard
5525	ChEBI
CB2385161	ChemicalBook
ZINC000004098515	ZINC
153264	BindingDB
The data in this table is sourced from UniChem at EBI.