Dataset

alpha,beta-Dihydroresveratrol

This MassBank record with Accession MSBNK-RIKEN-PR304200 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-PR304200
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:43:09.816121
MetadataModified	2024-01-11T20:43:09.995095
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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