Dataset

Genistin

This MassBank record with Accession MSBNK-BS-BS003063 contains the MS mass spectrum of Genistin with the InChIkey ZCOLJUOHXJRHDI-CMWLGVBASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
SMILES C1(=C(C(=C(C(=C1C2=C(OC3=C(C(=C(C(=C3C2=O)O[H])[H])O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])[H])[H])[H])[H])O[H])[H])[H]
InChI Key ZCOLJUOHXJRHDI-CMWLGVBASA-N
Molecular Formula C21H20O10
Exact Mass 432.106 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-BS003063
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:59.226562
MetadataModified 2024-01-11T12:33:59.393110
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
248535 Brenda
SCHEMBL62148 SureChEMBL
5281377 PubChem
248525 Brenda
J40.719D Nikkaji
60023801 NMRShiftDB
PD019230 ProbesDrugs
1POG3SCN5T FDA SRS
529-59-9 ACToR
56418630 PubChem: Thomson Pharma
17636 Brenda
24603 Brenda
11129 Brenda
34688 Brenda
4889 Brenda
123774 Brenda
30738 Brenda
49081 Brenda
123776 Brenda
CB9769395 ChemicalBook
225554 Brenda
50025609 BindingDB
ZINC000004097913 ZINC
DTXSID3022324 EPA CompTox Dashboard
MCULE-3462482152 Mcule
229471 Brenda
HY-N0595 MedChemExpress
LMPK12050166 LipidMaps
229470 Brenda
CHEMBL486625 ChEMBL
27514 ChEBI
C09126 KEGG Ligand
514317 eMolecules
The data in this table is sourced from UniChem at EBI.