Dataset

Chrysoeriol

This MassBank record with Accession MSBNK-BS-BS003343 contains the MS2 mass spectrum of Chrysoeriol with the InChIkey SCZVLDHREVKTSH-UHFFFAOYSA-N.

InChI	InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
SMILES	C(OC1=C(C(=C(C(=C1[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key	SCZVLDHREVKTSH-UHFFFAOYSA-N
Molecular Formula	C16H12O6
Exact Mass	300.063 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003343
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:36:54.218470
MetadataModified	2024-01-11T12:36:54.371967
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-7873890076	Mcule
ZINC000000519621	ZINC
LMPK12110799	LipidMaps
DTXSID60197687	EPA CompTox Dashboard
HY-121471	MedChemExpress
4511	Brenda
Q813145M20	FDA SRS
SCHEMBL293757	SureChEMBL
J90.397C	Nikkaji
5280666	PubChem
50241084	BindingDB
C04293	KEGG Ligand
CHEMBL214321	ChEMBL
16514	ChEBI
1935781	eMolecules
60019848	NMRShiftDB
PD150718	ProbesDrugs
491-71-4	ACToR
14974146	PubChem: Thomson Pharma
DB17283	DrugBank
43510	Brenda
40187	Brenda
MTBLC16514	Metabolights
CB4480952	ChemicalBook
137251	Brenda
208497	Brenda
MolPort-002-511-856	MolPort
HMDB0030667	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.