Dataset
high-resolution mass spectrometry (HRMS)
Chemical Info
InChI | InChI=1S/C28H29N3O4/c1-16-25(29-26(32)17-10-12-18(13-11-17)31(2)3)24-22(14-19(34-4)15-23(24)35-5)28(16)21-9-7-6-8-20(21)27(33)30-28/h6-16,25H,1-5H3,(H,29,32)(H,30,33)/t16-,25-,28+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)N(C)C)C |
InChI Key | ABSKKDIQFQWBSP-MELYQEHWSA-N |
Molecular Formula | C28H29N3O4 |
Exact Mass | 471.548 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ABSKKDIQFQWBSP-MELYQEHWSA-N/CHMO0000498 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ABSKKDIQFQWBSP-MELYQEHWSA-N/CHMO0000498 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:07:40.961752 |
MetadataModified | 2024-09-08T02:07:40.961757 |
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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169452720 | PubChem |
The data in this table is sourced from UniChem at EBI. |