Dataset

high-resolution mass spectrometry (HRMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C27H26N2O5/c1-15-22(28-25(30)16-10-6-5-7-11-16)21-19(14-20(32-2)23(33-3)24(21)34-4)27(15)18-13-9-8-12-17(18)26(31)29-27/h5-15,22H,1-4H3,(H,28,30)(H,29,31)/t15-,22-,27+/m1/s1
SMILES COc1c(OC)cc2c(c1OC)[C@H](NC(=O)c1ccccc1)[C@H]([C@]12NC(=O)c2c1cccc2)C
InChI Key RQNJDRKDRUHXQH-GUFUJHCKSA-N
Molecular Formula C27H26N2O5
Exact Mass 458.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RQNJDRKDRUHXQH-GUFUJHCKSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/RQNJDRKDRUHXQH-GUFUJHCKSA-N/CHMO0000498
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:08:29.145499
MetadataModified 2024-09-08T02:08:29.145504
MetadataPublished 2023-12-15
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169452737 PubChem
The data in this table is sourced from UniChem at EBI.