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 |
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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
Metadata Information
Field | Value |
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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 |
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Measurement Technique | high-resolution mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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169452736 | PubChem |
The data in this table is sourced from UniChem at EBI. |