Dataset

Isoflavone base + 3O

This MassBank record with Accession MSBNK-RIKEN-PR310856 contains the MS2 mass spectrum of Isoflavone base + 3O with the InChIkey DDKGKOOLFLYZDL-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
SMILES	O=C1C(=COC2=CC(O)=CC=C12)C3=CC=C(O)C(O)=C3
InChI Key	DDKGKOOLFLYZDL-UHFFFAOYSA-N
Molecular Formula	C15H10O5
Exact Mass	270.240 g/mol

Data and Resources

Isoflavone base + 3OHTML
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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-PR310856
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:25:20.136151
MetadataModified	2025-02-09T18:25:16.087333
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
47X	PDBe
CHEMBL13486	ChEMBL
C14313	KEGG Ligand
56865	Brenda
CB6692799	ChemicalBook
9985	Guide to Pharmacology
225164	Brenda
DTXSID3022451	EPA CompTox Dashboard
T08Y239E7Y	FDA SRS
50095997	BindingDB
ZINC000000391976	ZINC
J91.438J	Nikkaji
LMPK12050055	LipidMaps
15197342	PubChem: Thomson Pharma
5284648	PubChem
485-63-2	ACToR
PD057176	ProbesDrugs
60030489	NMRShiftDB
532752	eMolecules
HMDB0041655	Human Metabolome Database
57807	Brenda
23230	Brenda
78348	Brenda
MTBLC50399	Metabolights
50399	ChEBI
MCULE-7951276168	Mcule
SCHEMBL73012	SureChEMBL
The data in this table is sourced from UniChem at EBI.