Casticin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00423
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00423 contains the MS2 mass spectrum of Casticin with the InChIkey PJQLSMYMOKWUJG-UHFFFAOYSA-N.
Source: Casticin
Chemical Info
| InChI | InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3 |
|---|---|
| SMILES | COc(c3)c(O)cc(c3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(OC)c(OC)2)1 |
| InChI Key | PJQLSMYMOKWUJG-UHFFFAOYSA-N |
| Molecular Formula | C19H18O8 |
| Exact Mass | 374.100 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 | 6449a172-1ca1-4d39-8f32-345bf0e37754 |
| Package id | msbnk-fiocruz-fio00423 |
| Resource type | HTML |
| State | active |