Dataset

alpha,beta-Dihydroresveratrol

This MassBank record with Accession MSBNK-RIKEN-PR308242 contains the MS2 mass spectrum of alpha,beta-Dihydroresveratrol with the InChIkey HITJFUSPLYBJPE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
SMILES	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1
InChI Key	HITJFUSPLYBJPE-UHFFFAOYSA-N
Molecular Formula	C14H14O3
Exact Mass	230.263 g/mol

Data and Resources

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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-PR308242
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:33:51.171547
MetadataModified	2025-02-09T18:29:45.820086
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
185914	PubChem
HY-N3755	MedChemExpress
CBY43AY0TT	FDA SRS
LMPK13090035	LipidMaps
50085531	BindingDB
4582	ChEBI
HMDB0240498	Human Metabolome Database
J391.840H	Nikkaji
DB08466	DrugBank
CHEMBL111234	ChEMBL
RE2	PDBe
C10255	KEGG Ligand
ZINC000000899123	ZINC
91277	Brenda
MTBLC4582	Metabolights
14868148	PubChem: Thomson Pharma
SCHEMBL716856	SureChEMBL
58436-28-5	ACToR
PD004373	ProbesDrugs
60030907	NMRShiftDB
The data in this table is sourced from UniChem at EBI.