Dataset

{(Propane-2,2-diyl)bis[(4,1-phenylene)oxy]-2-hydroxypropane-3,1-diyl} bis(2-methylprop-2-enoate)

This MassBank record with Accession MSBNK-Antwerp_Univ-AN123038 contains the MS2 mass spectrum of {(Propane-2,2-diyl)bis[(4,1-phenylene)oxy]-2-hydroxypropane-3,1-diyl} bis(2-methylprop-2-enoate) with the InChIkey AMFGWXWBFGVCKG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3
SMILES CC(=C)C(=O)OCC(O)COC1=CC=C(C=C1)C(C)(C)C1=CC=C(OCC(O)COC(=O)C(C)=C)C=C1
InChI Key AMFGWXWBFGVCKG-UHFFFAOYSA-N
Molecular Formula C29H36O8
Exact Mass 512.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN123038
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:11.773536
MetadataModified 2024-01-11T09:30:11.934055
MetadataPublished 2021-08-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
514837 eMolecules
CHEMBL1600257 ChEMBL
C14511 KEGG Ligand
454I75YXY0 FDA SRS
DTXSID7044841 EPA CompTox Dashboard
34580 ChEBI
CB2199669 ChemicalBook
118859 Brenda
J156.646F Nikkaji
SCHEMBL15349 SureChEMBL
HMDB0249239 Human Metabolome Database
83382-93-8 ACToR
108074-17-5 ACToR
15284 PubChem
30757-19-8 ACToR
14836078 PubChem: Thomson Pharma
1565-94-2 ACToR
The data in this table is sourced from UniChem at EBI.