Dataset

Silymarin 10.03 min

This MassBank record with Accession MSBNK-BS-BS003851 contains the MS mass spectrum of Silymarin 10.03 min with the InChIkey SEBFKMXJBCUCAI-WAABAYLZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1
SMILES COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI Key SEBFKMXJBCUCAI-WAABAYLZSA-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-BS003851
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:05.152675
MetadataModified 2024-01-11T12:34:05.310336
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
853OHH1429 FDA SRS
36095409 eMolecules
1548994 PubChem
60027018 NMRShiftDB
15980112 PubChem: Thomson Pharma
SCHEMBL751461 SureChEMBL
65666-07-1 ACToR
PD054461 ProbesDrugs
50088491 BindingDB
175992 Brenda
24408 Brenda
DTXSID30858697 EPA CompTox Dashboard
CATXAW CCDC
ZINC000001530850 ZINC
CB71267458 ChemicalBook
HY-N7046 MedChemExpress
J1.382.200J Nikkaji
CHEMBL592675 ChEMBL
The data in this table is sourced from UniChem at EBI.