Ctrinin hydrate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000844
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000844 contains the MS2 mass spectrum of Ctrinin hydrate with the InChIkey MBTAFMZUDOUGPS-CGKQSRJASA-N.
Source: Ctrinin hydrate
Chemical Info
| InChI | InChI=1S/C13H16O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,13-15,18H,1-3H3,(H,16,17)/t4-,6-,13+/m1/s1 |
|---|---|
| SMILES | C[C@@H]1[C@H](O[C@@H](C2=C1C(=C(C(=C2O)C(=O)O)O)C)O)C |
| InChI Key | MBTAFMZUDOUGPS-CGKQSRJASA-N |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.095 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 26a7e095-7b8c-4f0b-81d7-8b061ed3fc36 |
| Package id | msbnk-aafc-ac000844 |
| Resource type | HTML |
| State | active |