Dataset

KUWANON-C

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000167 contains the MS mass spectrum of KUWANON-C with the InChIkey UWQYBLOHTQWSQD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
SMILES CC(C)=CCc(c(O)3)c(O1)c(c(O)c3)C(=O)C(CC=C(C)C)=C(c(c2)c(O)cc(O)c2)1
InChI Key UWQYBLOHTQWSQD-UHFFFAOYSA-N
Molecular Formula C25H26O6
Exact Mass 422.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000167
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:25:58.278144
MetadataModified 2025-02-09T13:00:59.079433
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL518543 ChEMBL
50242015 BindingDB
MCULE-4706134068 Mcule
DTXSID20212148 EPA CompTox Dashboard
J18.937E Nikkaji
LMPK12110895 LipidMaps
HY-N3513 MedChemExpress
CB71421795 ChemicalBook
86649 Brenda
5481958 PubChem
62949-79-5 ACToR
15427552 PubChem: Thomson Pharma
SCHEMBL3680736 SureChEMBL
PD100207 ProbesDrugs
60024556 NMRShiftDB
HMDB0029507 Human Metabolome Database
68719 Brenda
ZINC000014727558 ZINC
The data in this table is sourced from UniChem at EBI.