Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C27H26N2O5/c1-16-24(28-26(31)34-15-17-9-5-4-6-10-17)23-21(13-18(32-2)14-22(23)33-3)27(16)20-12-8-7-11-19(20)25(30)29-27/h4-14,16,24H,15H2,1-3H3,(H,28,31)(H,29,30)/t16-,24-,27+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)OCc1ccccc1)C
InChI Key	GKGLZZUSNNEKSZ-JCDPWUBBSA-N
Molecular Formula	C27H26N2O5
Exact Mass	458.506 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GKGLZZUSNNEKSZ-JCDPWUBBSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/GKGLZZUSNNEKSZ-JCDPWUBBSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:08:46.774341
MetadataModified	2024-09-08T02:08:46.774349
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169452724	PubChem
The data in this table is sourced from UniChem at EBI.