| SpectraBase Compound ID | DxtjU5J9ffo |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-8-4-12(17)13(18)6-14-11(8)5-10(3)16(21-14)15(19)9(2)7-20-16/h4,6,9-10,15,19H,5,7H2,1-3H3,(H,17,18)/t9-,10-,15?,16+/m1/s1 |
| InChIKey | PLRNIDHEWWILCN-JKCHCRLCSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EcLRxKxp2bZ |
|---|---|
| Name | Malletinin B |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-8-4-12(17)13(18)6-14-11(8)5-10(3)16(21-14)15(19)9(2)7-20-16/h4,6,9-10,15,19H,5,7H2,1-3H3,(H,17,18)/t9-,10-,15?,16+/m1/s1 |
| InChIKey | PLRNIDHEWWILCN-JKCHCRLCSA-N |
| Molecular Weight | 292.331 g/mol |
| SMILES | OC1=CC=2O[C@]3(C([C@@](CO3)(C)[H])O)[C@@](CC2C(=CC1=O)C)(C)[H] |
| SPLASH | splash10-00di-0090000000-fe5aa7e1ab3fcdb81a0b |
| Source of Spectrum | X2-68-215-2 |
| Wiley ID | 1609458 |