4-Coumaroylquinic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PM000310
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PM000310 contains the MS2 mass spectrum of 4-Coumaroylquinic acid with the InChIkey XWRHBGVVCOSNKO-OPGYGNEESA-N.
Source: 4-Coumaroylquinic acid
Chemical Info
| InChI | InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1 |
|---|---|
| SMILES | O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O |
| InChI Key | XWRHBGVVCOSNKO-OPGYGNEESA-N |
| Molecular Formula | C16H18O8 |
| Exact Mass | 338.312 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 | b87c94ba-4a24-43a8-8e9f-7a36f38c45ee |
| Package id | msbnk-riken_respect-pm000310 |
| Resource type | HTML |
| State | active |