Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C27H26N2O4/c1-16-25(28-23(30)13-17-9-5-4-6-10-17)24-21(14-18(32-2)15-22(24)33-3)27(16)20-12-8-7-11-19(20)26(31)29-27/h4-12,14-16,25H,13H2,1-3H3,(H,28,30)(H,29,31)/t16-,25-,27+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)Cc1ccccc1)C
InChI Key AZLXCNAIXUPYSM-BHLWPZGCSA-N
Molecular Formula C27H26N2O4
Exact Mass 442.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AZLXCNAIXUPYSM-BHLWPZGCSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/AZLXCNAIXUPYSM-BHLWPZGCSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:11:28.515283
MetadataModified 2024-09-08T02:11:28.515288
MetadataPublished 2023-12-15
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452741 PubChem
The data in this table is sourced from UniChem at EBI.