| SpectraBase Compound ID | J3NyDpAiROU |
|---|---|
| InChI | InChI=1S/C11H16O5/c1-2-6-3-4-10(13)11(14)7(12)5-8(16-10)15-9(6)11/h6,8-9,13-14H,2-5H2,1H3/t6-,8+,9-,10+,11+/m0/s1 |
| InChIKey | NJLUHFDDAQPMDI-WAWIWLGASA-N |
| Mol Weight | 228.24 g/mol |
| Molecular Formula | C11H16O5 |
| Exact Mass | 228.099774 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2wDe9W1Cxf7 |
|---|---|
| Name | Agistatine E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H16O5 |
| InChI | InChI=1S/C11H16O5/c1-2-6-3-4-10(13)11(14)7(12)5-8(16-10)15-9(6)11/h6,8-9,13-14H,2-5H2,1H3/t6-,8+,9-,10+,11+/m0/s1 |
| InChIKey | NJLUHFDDAQPMDI-WAWIWLGASA-N |
| Molecular Weight | 228.244 g/mol |
| SMILES | O[C@@]12CC[C@@]([C@@]3(O[C@@](CC([C@]13O)=O)(O2)[H])[H])(CC)[H] |
| SPLASH | splash10-06su-6900000000-2018706d174ae3d04fc5 |
| Source of Spectrum | U-1996-632-4 |
| Wiley ID | 768308 |