Dataset

Glabrol, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-, (2S)-

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM019130 contains the MS2 mass spectrum of Glabrol, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-, (2S)- with the InChIkey CUFAXDWQDQQKFF-DEOSSOPVSA-N.

Chemical Info

InChI	InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
SMILES	CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1O
InChI Key	CUFAXDWQDQQKFF-DEOSSOPVSA-N
Molecular Formula	C25H28O4
Exact Mass	392.495 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM019130
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:27:42.710464
MetadataModified	2025-02-09T19:06:35.445791
MetadataPublished	2009-11-18

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
77192	Brenda
CB8234122	ChemicalBook
ZINC000005854698	ZINC
SCHEMBL15602627	SureChEMBL
11596309	PubChem
16698958	PubChem: Thomson Pharma
PD125327	ProbesDrugs
E4XEY076JN	FDA SRS
60030750	NMRShiftDB
CHEMBL462721	ChEMBL
177851	ChEBI
69609	BindingDB
HY-N4193	MedChemExpress
J179.706I	Nikkaji
The data in this table is sourced from UniChem at EBI.