Dataset

Scutellarein

This MassBank record with Accession MSBNK-BS-BS003661 contains the MS2 mass spectrum of Scutellarein with the InChIkey JVXZRQGOGOXCEC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
SMILES C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])O[H])O[H])[H])[H])[H])[H])O[H])[H])[H]
InChI Key JVXZRQGOGOXCEC-UHFFFAOYSA-N
Molecular Formula C15H10O6
Exact Mass 286.048 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-BS003661
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:32:53.393404
MetadataModified 2024-01-11T12:32:53.592478
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5281697 PubChem
60022701 NMRShiftDB
14775524 PubChem: Thomson Pharma
P460GTI853 FDA SRS
529-53-3 ACToR
PD052626 ProbesDrugs
SCHEMBL142093 SureChEMBL
J6.686I Nikkaji
DTXSID40200946 EPA CompTox Dashboard
23411 BindingDB
HY-N0752 MedChemExpress
LMPK12111160 LipidMaps
ZINC000005842416 ZINC
157340 Brenda
CB6402688 ChemicalBook
8761 Brenda
27102 Brenda
MTBLC9062 Metabolights
68771 Brenda
C10184 KEGG Ligand
9062 ChEBI
CHEMBL55415 ChEMBL
2723940 eMolecules
The data in this table is sourced from UniChem at EBI.