Dataset

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

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM019134 contains the MS2 mass spectrum of 3-hydroxy-glabrol, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-, (2R,3R)- with the InChIkey LAQLCZKPJGMFRM-BJKOFHAPSA-N.

Chemical Info

InChI	InChI=1S/C25H28O5/c1-14(2)5-7-16-13-17(8-11-20(16)26)24-23(29)22(28)19-10-12-21(27)18(25(19)30-24)9-6-15(3)4/h5-6,8,10-13,23-24,26-27,29H,7,9H2,1-4H3/t23-,24+/m0/s1
SMILES	CC(C)=CCc1cc([C@H]2Oc3c(ccc(O)c3CC=C(C)C)C(=O)[C@@H]2O)ccc1O
InChI Key	LAQLCZKPJGMFRM-BJKOFHAPSA-N
Molecular Formula	C25H28O5
Exact Mass	408.494 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-PM019134
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:08:08.569828
MetadataModified	2024-01-11T21:08:08.736086
MetadataPublished	2009-11-18

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL463947	ChEMBL
480854	PubChem
FTR3GY7U1I	FDA SRS
60059486	NMRShiftDB
191827	ChEBI
J942.908E	Nikkaji
The data in this table is sourced from UniChem at EBI.