Coumaroyl quinic acid (isomer of 758, 759)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309014
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309014 contains the MS2 mass spectrum of Coumaroyl quinic acid (isomer of 758, 759) with the InChIkey XWRHBGVVCOSNKO-UHFFFAOYSA-N.
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) |
|---|---|
| SMILES | O=C(OC1C(O)CC(O)(C(=O)O)CC1(O))C=CC2=CC=C(O)C=C2 |
| InChI Key | XWRHBGVVCOSNKO-UHFFFAOYSA-N |
| Molecular Formula | C16H18O8 |
| Exact Mass | 338.312 g/mol |
There are no views created for this resource yet.
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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 90333a2c-352f-438a-9219-d8643da37e1a |
| Package id | msbnk-riken-pr309014 |
| Resource type | HTML |
| State | active |