Dataset

Silychrystin

This MassBank record with Accession MSBNK-RIKEN-PR307829 contains the MS2 mass spectrum of Silychrystin with the InChIkey BMLIIPOXVWESJG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3
SMILES COC1=C(O)C=CC(=C1)C1OC2=C(C=C(C=C2O)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C1CO
InChI Key BMLIIPOXVWESJG-UHFFFAOYSA-N
Molecular Formula C25H22O10
Exact Mass 482.441 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-PR307829
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:35.615464
MetadataModified 2024-01-11T20:42:35.769817
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0033953 Human Metabolome Database
CB8687836 ChemicalBook
SCHEMBL10049339 SureChEMBL
4481797 PubChem
14810146 PubChem: Thomson Pharma
80008981 NMRShiftDB
PD087376 ProbesDrugs
The data in this table is sourced from UniChem at EBI.