Dataset
high-resolution mass spectrometry (HRMS)
Chemical Info
InChI | InChI=1S/C27H26N2O4/c1-15-9-11-17(12-10-15)25(30)28-24-16(2)27(20-8-6-5-7-19(20)26(31)29-27)21-13-18(32-3)14-22(33-4)23(21)24/h5-14,16,24H,1-4H3,(H,28,30)(H,29,31)/t16-,24-,27+/m1/s1 |
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SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)C)C |
InChI Key | FGPDWKCDLHHVMZ-JCDPWUBBSA-N |
Molecular Formula | C27H26N2O4 |
Exact Mass | 442.506 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/FGPDWKCDLHHVMZ-JCDPWUBBSA-N/CHMO0000498 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FGPDWKCDLHHVMZ-JCDPWUBBSA-N/CHMO0000498 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:09:14.876815 |
MetadataModified | 2024-09-08T02:09:14.876821 |
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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169452734 | PubChem |
The data in this table is sourced from UniChem at EBI. |