Dataset

Diosmetin-7-O-rutinoside

This MassBank record with Accession MSBNK-RIKEN-PR302559 contains the MS2 mass spectrum of Diosmetin-7-O-rutinoside with the InChIkey GZSOSUNBTXMUFQ-YFAPSIMESA-N.

Chemical Info

InChI	InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
SMILES	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
InChI Key	GZSOSUNBTXMUFQ-YFAPSIMESA-N
Molecular Formula	C28H32O15
Exact Mass	608.549 g/mol

Data and Resources

Diosmetin-7-O-rutinosideHTML
Explore
- More information
- Go to resource

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-PR302559
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:43:25.424545
MetadataModified	2025-02-09T18:31:21.557069
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL231884	ChEMBL
C10039	KEGG Ligand
DTXSID4045892	EPA CompTox Dashboard
MCULE-3603671410	Mcule
4631	ChEBI
HESPERIDIN	clinicaltrials
HY-N0178	MedChemExpress
DIOSMIN	clinicaltrials
DAFLON	clinicaltrials
DIOSMIN	rxnorm
LMPK12110814	LipidMaps
3157	DrugCentral
153267	BindingDB
DB08995	DrugBank
KIMDAN	CCDC
J6.600A	Nikkaji
15013225	PubChem: Thomson Pharma
14911956	PubChem: Thomson Pharma
5281613	PubChem
60022479	NMRShiftDB
Diosmin	Selleck
7QM776WJ5N	FDA SRS
LSM-5989	LINCS
520-27-4	ACToR
111804-73-0	ACToR
PD001043	ProbesDrugs
29535297	eMolecules
1935811	eMolecules
ZINC000004098512	ZINC
CB6443258	ChemicalBook
173381	Brenda
MCULE-6096209142	Mcule
SCHEMBL120870	SureChEMBL
The data in this table is sourced from UniChem at EBI.