Dataset
6NFB003_Gladiofungin_A.hmbc
Chemical Info
InChI | InChI=1S/C27H39NO8/c1-17(22(31)16-20(29)13-19-14-23(32)28-24(33)15-19)11-9-7-5-3-4-6-8-10-12-21(30)25-18(2)26(34)36-27(25)35/h9,11,17,19-20,26,29,34H,3-8,10,12-16H2,1-2H3,(H,28,32,33)/b11-9+ |
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SMILES | CC1=C(C(=O)CCCCCCCC/C=C/C(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(=O)OC1O |
InChI Key | SYADJZZKJSIWKK-PKNBQFBNSA-N |
Molecular Formula | C27H39NO8 |
Exact Mass | 505.600 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p5.s39.d95 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D95 |
Version | |
Author | Dose B, Niehs SP, Scherlach K, Shahda S, Flórez LV, Kaltenpoth M, Hertweck C. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:45:46.776049 |
MetadataModified | 2024-09-23T09:35:34.684597 |
MetadataPublished | 2022-10-27 15:09:20 |
Field | Value |
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Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
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70118045 | NMRShiftDB |
156582308 | PubChem |
The data in this table is sourced from UniChem at EBI. |