Dataset

Biochanin-7-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR306551 contains the MS2 mass spectrum of Biochanin-7-O-glucoside with the InChIkey LFEUICHQZGNOHD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3
SMILES COC1=CC=C(C=C1)C1=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C2C1=O
InChI Key LFEUICHQZGNOHD-UHFFFAOYSA-N
Molecular Formula C22H22O10
Exact Mass 446.408 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-RIKEN-PR306551
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:11.986279
MetadataModified 2024-01-11T20:44:12.159265
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5358913 PubChem
30157472 eMolecules
60024539 NMRShiftDB
5928-26-7 ACToR
SCHEMBL21013018 SureChEMBL
HMDB0033990 Human Metabolome Database
MCULE-5786116593 Mcule
CHEMBL1405026 ChEMBL
The data in this table is sourced from UniChem at EBI.