Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C31H26N2O4/c1-36-21-17-24-26(25(18-21)37-2)28(32-29(34)20-13-7-4-8-14-20)27(19-11-5-3-6-12-19)31(24)23-16-10-9-15-22(23)30(35)33-31/h3-18,27-28H,1-2H3,(H,32,34)(H,33,35)/t27-,28+,31+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)c1ccccc1
InChI Key	WSCUALFGPUXSPJ-XHWIWGEHSA-N
Molecular Formula	C31H26N2O4
Exact Mass	490.549 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WSCUALFGPUXSPJ-XHWIWGEHSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/WSCUALFGPUXSPJ-XHWIWGEHSA-N/CHMO0000498
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:10:40.505721
MetadataModified	2024-09-08T02:10:40.505729
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.