Phlorizin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS086405
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS086405 contains the MS2 mass spectrum of Phlorizin with the InChIkey IOUVKUPGCMBWBT-QNDFHXLGSA-N.
Source: Phlorizin
Chemical Info
| InChI | InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O |
| InChI Key | IOUVKUPGCMBWBT-QNDFHXLGSA-N |
| Molecular Formula | C21H24O10 |
| Exact Mass | 436.413 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 | 1e843889-c1bf-4451-8930-7d15adb72917 |
| Package id | msbnk-riken_respect-ps086405 |
| Resource type | HTML |
| State | active |