Dataset

Silychristin

This MassBank record with Accession MSBNK-BS-BS003682 contains the MS mass spectrum of Silychristin with the InChIkey BMLIIPOXVWESJG-LMBCONBSSA-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/t14-,22+,23+,24-/m1/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[C@@]2([H])[C@@]([H])(C3=C(O2)C(=C(C(=C3[H])[C@]4([H])[C@]([H])(C(=O)C5=C(C(=C(C(=C5O4)[H])O[H])[H])O[H])O[H])[H])O[H])C(O[H])([H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key BMLIIPOXVWESJG-LMBCONBSSA-N
Molecular Formula C25H22O10
Exact Mass 482.121 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-BS003682
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:51.336862
MetadataModified 2024-01-11T12:34:51.504885
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LMPK12140717 LipidMaps
227822 Brenda
ZINC000003793048 ZINC
HY-N0647 MedChemExpress
DTXSID50187512 EPA CompTox Dashboard
SCHEMBL971442 SureChEMBL
J913.169H Nikkaji
MTBLC9143 Metabolights
MolPort-006-069-276 MolPort
441764 PubChem
60027014 NMRShiftDB
9143 ChEBI
LK279ER14X FDA SRS
PD054507 ProbesDrugs
CHEMBL130493 ChEMBL
C08717 KEGG Ligand
30512696 eMolecules
The data in this table is sourced from UniChem at EBI.