Dataset

Mangostin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81665 contains the MS mass spectrum of Mangostin with the InChIkey GNRIZKKCNOBBMO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
SMILES	CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)O)C
InChI Key	GNRIZKKCNOBBMO-UHFFFAOYSA-N
Molecular Formula	C24H26O6
Exact Mass	410.173 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81665
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:17:20.964291
MetadataModified	2025-02-09T20:03:43.575909
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14904210	PubChem: Thomson Pharma
U6RIV93RU1	FDA SRS
PD000768	ProbesDrugs
60025318	NMRShiftDB
6147-11-1	ACToR
SCHEMBL354735	SureChEMBL
HMDB0035796	Human Metabolome Database
213713	Brenda
ZINC000005430812	ZINC
MTBLC67547	Metabolights
10096	Brenda
67547	ChEBI
5281650	PubChem
C10080	KEGG Ligand
CHEMBL323197	ChEMBL
CB01040698	ChemicalBook
HY-N0328	MedChemExpress
MKS	PDBe
50214969	BindingDB
DTXSID00210420	EPA CompTox Dashboard
J8.348H	Nikkaji
WAFVAC	CCDC
MCULE-1080742368	Mcule
220839	Brenda
730801	eMolecules
CB0739500	ChemicalBook
The data in this table is sourced from UniChem at EBI.