Dataset

Diosmin

This MassBank record with Accession MSBNK-BS-BS003257 contains the MS2 mass spectrum of Diosmin with the InChIkey GZSOSUNBTXMUFQ-YFAPSIMESA-N.

Chemical Info

molecular Image
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 O=C1C=2C(O[H])=C(C(O[C@]3([H])O[C@]([H])(C(O[C@@]4([H])O[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])C([H])([H])[H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C(C2OC(C=5C(=C(C(OC([H])([H])[H])=C(O[H])C5[H])[H])[H])=C1[H])[H])[H]
InChI Key GZSOSUNBTXMUFQ-YFAPSIMESA-N
Molecular Formula C28H32O15
Exact Mass 608.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003257
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:23.302497
MetadataModified 2024-01-11T12:37:23.471229
MetadataPublished 2017-12-01
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
DB08995 DrugBank
ZINC000004098512 ZINC
LMPK12110814 LipidMaps
DIOSMIN rxnorm
DIOSMIN clinicaltrials
DAFLON clinicaltrials
HESPERIDIN clinicaltrials
HY-N0178 MedChemExpress
4631 ChEBI
MCULE-3603671410 Mcule
153267 BindingDB
J6.600A Nikkaji
KIMDAN CCDC
3157 DrugCentral
520-27-4 ACToR
LSM-5989 LINCS
7QM776WJ5N FDA SRS
Diosmin Selleck
5281613 PubChem
PD001043 ProbesDrugs
60022479 NMRShiftDB
14911956 PubChem: Thomson Pharma
111804-73-0 ACToR
15013225 PubChem: Thomson Pharma
CB6443258 ChemicalBook
173381 Brenda
SCHEMBL120870 SureChEMBL
MCULE-6096209142 Mcule
29535297 eMolecules
1935811 eMolecules
The data in this table is sourced from UniChem at EBI.