Isoplumericin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00799
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00799 contains the MS2 mass spectrum of Isoplumericin with the InChIkey VFXXNAVZODKBIW-SIEBBUFOSA-N.
Source: Isoplumericin
Chemical Info
| InChI | InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m1/s1 |
|---|---|
| SMILES | COC(=O)C(=C4)[C@@]([H])(C=3)[C@]([H])([C@]([H])(O4)1)[C@](C3)(O2)[C@]([H])(C(=CC)C(=O)2)O1 |
| InChI Key | VFXXNAVZODKBIW-SIEBBUFOSA-N |
| Molecular Formula | C15H14O6 |
| Exact Mass | 290.079 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 5df042b5-7149-4c0e-ac63-9cda86a0e567 |
| Package id | msbnk-fiocruz-fio00799 |
| Resource type | HTML |
| State | active |