Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C27H26N2O4/c1-4-19-24(28-25(30)16-10-6-5-7-11-16)23-21(14-17(32-2)15-22(23)33-3)27(19)20-13-9-8-12-18(20)26(31)29-27/h5-15,19,24H,4H2,1-3H3,(H,28,30)(H,29,31)/t19-,24-,27+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)CC
InChI Key	FPGOFNANYCIZRQ-BRBPODBZSA-N
Molecular Formula	C27H26N2O4
Exact Mass	442.506 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FPGOFNANYCIZRQ-BRBPODBZSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/FPGOFNANYCIZRQ-BRBPODBZSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:06:05.723077
MetadataModified	2024-09-08T02:06:05.723082
MetadataPublished	2023-12-15

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

Data-Source Molecule ID	Data-Source
169452733	PubChem
The data in this table is sourced from UniChem at EBI.