Dataset
high-resolution mass spectrometry (HRMS)
Chemical Info
InChI | InChI=1S/C27H26N2O5/c1-15-22(28-25(30)16-10-6-5-7-11-16)21-19(14-20(32-2)23(33-3)24(21)34-4)27(15)18-13-9-8-12-17(18)26(31)29-27/h5-15,22H,1-4H3,(H,28,30)(H,29,31)/t15-,22-,27+/m1/s1 |
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SMILES | COc1c(OC)cc2c(c1OC)[C@H](NC(=O)c1ccccc1)[C@H]([C@]12NC(=O)c2c1cccc2)C |
InChI Key | RQNJDRKDRUHXQH-GUFUJHCKSA-N |
Molecular Formula | C27H26N2O5 |
Exact Mass | 458.506 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/RQNJDRKDRUHXQH-GUFUJHCKSA-N/CHMO0000498 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RQNJDRKDRUHXQH-GUFUJHCKSA-N/CHMO0000498 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:08:29.145499 |
MetadataModified | 2024-09-08T02:08:29.145504 |
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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169452737 | PubChem |
The data in this table is sourced from UniChem at EBI. |