Dataset
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
InChI | InChI=1S/C27H26N2O5/c1-16-24(28-26(31)34-15-17-9-5-4-6-10-17)23-21(13-18(32-2)14-22(23)33-3)27(16)20-12-8-7-11-19(20)25(30)29-27/h4-14,16,24H,15H2,1-3H3,(H,28,31)(H,29,30)/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)OCc1ccccc1)C |
InChI Key | GKGLZZUSNNEKSZ-JCDPWUBBSA-N |
Molecular Formula | C27H26N2O5 |
Exact Mass | 458.506 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/GKGLZZUSNNEKSZ-JCDPWUBBSA-N/CHMO0000473 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GKGLZZUSNNEKSZ-JCDPWUBBSA-N/CHMO0000473 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:08:46.774341 |
MetadataModified | 2024-09-08T02:08:46.774349 |
MetadataPublished | 2023-12-15 |
Field | Value |
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Measurement Technique | atmospheric pressure chemical ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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169452724 | PubChem |
The data in this table is sourced from UniChem at EBI. |